N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H17N5OS — CID 95873470

IUPACN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC[C@H](NC(=O)Cc1csc(C)n1)c1cn2cccnc2n1
InChIInChI=1S/C15H17N5OS/c1-3-12(13-8-20-6-4-5-16-15(20)19-13)18-14(21)7-11-9-22-10(2)17-11/h4-6,8-9,12H,3,7H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyYZCMKCXRCLMOOI-LBPRGKRZSA-N
MW315.40 g/mol
LogP2.30
Rot. Bonds5

About N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95873470) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID95873470
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC[C@H](NC(=O)Cc1csc(C)n1)c1cn2cccnc2n1
InChIInChI=1S/C15H17N5OS/c1-3-12(13-8-20-6-4-5-16-15(20)19-13)18-14(21)7-11-9-22-10(2)17-11/h4-6,8-9,12H,3,7H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyYZCMKCXRCLMOOI-LBPRGKRZSA-N
XLogP2.30
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 95873470) is N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CC[C@H](NC(=O)Cc1csc(C)n1)c1cn2cccnc2n1.
What is the InChIKey of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YZCMKCXRCLMOOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-3-12(13-8-20-6-4-5-16-15(20)19-13)18-14(21)7-11-9-22-10(2)17-11/h4-6,8-9,12H,3,7H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95873470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).