N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide

C16H19N3OS — CID 67847539

IUPACN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21
InChIInChI=1S/C16H19N3OS/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14/h7-9H,4-6H2,1-3H3,(H,18,20)
InChIKeyQTCGYPKNEVRBPP-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.28
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide

N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide (PubChem CID 67847539) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
PubChem CID67847539
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21
InChIInChI=1S/C16H19N3OS/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14/h7-9H,4-6H2,1-3H3,(H,18,20)
InChIKeyQTCGYPKNEVRBPP-UHFFFAOYSA-N
XLogP3.28
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide (CID 67847539) is N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide is CC1=C(C(=O)Nc2cc(C)cc(C)c2)SC2=NCCCN21.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
The InChIKey is QTCGYPKNEVRBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-7-11(2)9-13(8-10)18-15(20)14-12(3)19-6-4-5-17-16(19)21-14/h7-9H,4-6H2,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide?
N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 67847539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).