N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C24H16ClN5O2S — CID 55826534

IUPACN-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H16ClN5O2S/c25-18-9-6-16(13-19(18)28-23(32)21-3-1-12-33-21)22(31)27-17-7-4-15(5-8-17)20-14-30-11-2-10-26-24(30)29-20/h1-14H,(H,27,31)(H,28,32)
InChIKeyKHTBOXBYFAEQSX-UHFFFAOYSA-N
MW473.95 g/mol
LogP5.62
Rot. Bonds5

About N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55826534) has the molecular formula C24H16ClN5O2S and a molecular weight of 473.95 g/mol. Its IUPAC name is N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55826534
Molecular FormulaC24H16ClN5O2S
Molecular Weight473.95 g/mol
Exact Mass473.07
IUPAC NameN-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H16ClN5O2S/c25-18-9-6-16(13-19(18)28-23(32)21-3-1-12-33-21)22(31)27-17-7-4-15(5-8-17)20-14-30-11-2-10-26-24(30)29-20/h1-14H,(H,27,31)(H,28,32)
InChIKeyKHTBOXBYFAEQSX-UHFFFAOYSA-N
XLogP5.62
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.95
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(pyridin-4-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27700085
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
CID 99807438
N-[2-chloro-5-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46652846
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
N-[2-chloro-5-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30860283
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 46669143
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-[2-chloro-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55822443
2-benzyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55833853

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 55826534) is N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KHTBOXBYFAEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O2S/c25-18-9-6-16(13-19(18)28-23(32)21-3-1-12-33-21)22(31)27-17-7-4-15(5-8-17)20-14-30-11-2-10-26-24(30)29-20/h1-14H,(H,27,31)(H,28,32).
What are the key properties of N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 473.95 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).