5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide

C14H13ClN4OS — CID 99973548

IUPAC5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)s1)c1cn2cccnc2n1
InChIInChI=1S/C14H13ClN4OS/c1-2-9(17-13(20)11-4-5-12(15)21-11)10-8-19-7-3-6-16-14(19)18-10/h3-9H,2H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyYSBRLZANPDEURS-VIFPVBQESA-N
MW320.81 g/mol
LogP3.33
Rot. Bonds4

About 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide

5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide (PubChem CID 99973548) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
PubChem CID99973548
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(Cl)s1)c1cn2cccnc2n1
InChIInChI=1S/C14H13ClN4OS/c1-2-9(17-13(20)11-4-5-12(15)21-11)10-8-19-7-3-6-16-14(19)18-10/h3-9H,2H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyYSBRLZANPDEURS-VIFPVBQESA-N
XLogP3.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72916676
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
1-ethyl-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 97150133
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97133513
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 99932489
1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
CID 98308001
1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
CID 72879096
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155938444
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 86285049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide (CID 99973548) is 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide is CC[C@H](NC(=O)c1ccc(Cl)s1)c1cn2cccnc2n1.
What is the InChIKey of 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide?
The InChIKey is YSBRLZANPDEURS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-2-9(17-13(20)11-4-5-12(15)21-11)10-8-19-7-3-6-16-14(19)18-10/h3-9H,2H2,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide?
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide has a molecular weight of 320.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 99973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).