N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H21N5OS — CID 72916676

IUPACN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(C(C)C)nc1C)c1cn2cccnc2n1
InChIInChI=1S/C17H21N5OS/c1-5-12(13-9-22-8-6-7-18-17(22)21-13)20-15(23)14-11(4)19-16(24-14)10(2)3/h6-10,12H,5H2,1-4H3,(H,20,23)
InChIKeyOLJRXKDSUFTGGE-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.50
Rot. Bonds5

About N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 72916676) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID72916676
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(C(C)C)nc1C)c1cn2cccnc2n1
InChIInChI=1S/C17H21N5OS/c1-5-12(13-9-22-8-6-7-18-17(22)21-13)20-15(23)14-11(4)19-16(24-14)10(2)3/h6-10,12H,5H2,1-4H3,(H,20,23)
InChIKeyOLJRXKDSUFTGGE-UHFFFAOYSA-N
XLogP3.50
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 72916676) is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1sc(C(C)C)nc1C)c1cn2cccnc2n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OLJRXKDSUFTGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-5-12(13-9-22-8-6-7-18-17(22)21-13)20-15(23)14-11(4)19-16(24-14)10(2)3/h6-10,12H,5H2,1-4H3,(H,20,23).
What are the key properties of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72916676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).