N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C18H15N5OS — CID 95615858

IUPACN-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cn2cccnc2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N5OS/c1-12(17-21-15(11-25-17)13-6-3-2-4-7-13)20-16(24)14-10-23-9-5-8-19-18(23)22-14/h2-12H,1H3,(H,20,24)/t12-/m1/s1
InChIKeyMAYPQLOKQIAFTG-GFCCVEGCSA-N
MW349.42 g/mol
LogP3.34
Rot. Bonds4

About N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 95615858) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID95615858
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cn2cccnc2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N5OS/c1-12(17-21-15(11-25-17)13-6-3-2-4-7-13)20-16(24)14-10-23-9-5-8-19-18(23)22-14/h2-12H,1H3,(H,20,24)/t12-/m1/s1
InChIKeyMAYPQLOKQIAFTG-GFCCVEGCSA-N
XLogP3.34
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
N-[1-(1-adamantyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75363348
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 125445797
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
(E)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 95316902
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
2-methylsulfanyl-3-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxamide
CID 86945432
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 95615858) is N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is C[C@@H](NC(=O)c1cn2cccnc2n1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MAYPQLOKQIAFTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12(17-21-15(11-25-17)13-6-3-2-4-7-13)20-16(24)14-10-23-9-5-8-19-18(23)22-14/h2-12H,1H3,(H,20,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 95615858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).