5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H31ClN4O2S — CID 42827823

IUPAC5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2C1c1ccccc1Cl
InChIInChI=1S/C24H31ClN4O2S/c1-6-28(7-2)23(31)21-16(5)27-24-29(22(21)18-10-8-9-11-19(18)25)17(14-32-24)12-20(30)26-13-15(3)4/h8-11,14-15,22H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyAOHCNNXHZMVKAX-UHFFFAOYSA-N
MW475.06 g/mol
LogP4.95
Rot. Bonds8

About 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42827823) has the molecular formula C24H31ClN4O2S and a molecular weight of 475.06 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42827823
Molecular FormulaC24H31ClN4O2S
Molecular Weight475.06 g/mol
Exact Mass474.19
IUPAC Name5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2C1c1ccccc1Cl
InChIInChI=1S/C24H31ClN4O2S/c1-6-28(7-2)23(31)21-16(5)27-24-29(22(21)18-10-8-9-11-19(18)25)17(14-32-24)12-20(30)26-13-15(3)4/h8-11,14-15,22H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyAOHCNNXHZMVKAX-UHFFFAOYSA-N
XLogP4.95
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.06
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827827
benzyl (5S)-5-(2-chlorophenyl)-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98204076
(5S)-3-[2-(benzylamino)-2-oxoethyl]-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358434
2-methoxyethyl (5S)-5-(2-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357043
ethyl (5R)-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356468
(5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357060
(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357052
benzyl 3-[2-(benzylamino)-2-oxoethyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828872
5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827785
5-(4-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42829234
benzyl (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98204051
propan-2-yl (5S)-5-(2-chlorophenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98153201

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42827823) is 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2C1c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AOHCNNXHZMVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2S/c1-6-28(7-2)23(31)21-16(5)27-24-29(22(21)18-10-8-9-11-19(18)25)17(14-32-24)12-20(30)26-13-15(3)4/h8-11,14-15,22H,6-7,12-13H2,1-5H3,(H,26,30).
What are the key properties of 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 475.06 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N,N-diethyl-7-methyl-3-[2-(2-methylpropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42827823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).