N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H26N4O2S — CID 136554162

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC3CCN(CC4CC4)CC3)c(=O)n2c1C
InChIInChI=1S/C19H26N4O2S/c1-12-13(2)26-19-21-10-16(18(25)23(12)19)17(24)20-9-14-5-7-22(8-6-14)11-15-3-4-15/h10,14-15H,3-9,11H2,1-2H3,(H,20,24)
InChIKeyYQVYHFCSSLUCCK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 136554162) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID136554162
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC3CCN(CC4CC4)CC3)c(=O)n2c1C
InChIInChI=1S/C19H26N4O2S/c1-12-13(2)26-19-21-10-16(18(25)23(12)19)17(24)20-9-14-5-7-22(8-6-14)11-15-3-4-15/h10,14-15H,3-9,11H2,1-2H3,(H,20,24)
InChIKeyYQVYHFCSSLUCCK-UHFFFAOYSA-N
XLogP2.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564223
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 127951490
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
2,3-dimethyl-5-oxo-N-propan-2-yloxy-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470183
2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819584
2-benzyl-3-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120525091
2,3-dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 118795603
N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469973
methyl 2-[(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-3-phenylpropanoate
CID 53370574
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 136554162) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NCC3CCN(CC4CC4)CC3)c(=O)n2c1C.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YQVYHFCSSLUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-12-13(2)26-19-21-10-16(18(25)23(12)19)17(24)20-9-14-5-7-22(8-6-14)11-15-3-4-15/h10,14-15H,3-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136554162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).