N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide

C16H15ClN4O3S — CID 29289656

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)n1
InChIInChI=1S/C16H15ClN4O3S/c17-9-3-4-11(12(6-9)21-5-1-2-14(21)23)15(24)20-16-19-10(8-25-16)7-13(18)22/h3-4,6,8H,1-2,5,7H2,(H2,18,22)(H,19,20,24)
InChIKeyDLQHNHAWERORBY-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.20
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 29289656) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID29289656
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)n1
InChIInChI=1S/C16H15ClN4O3S/c17-9-3-4-11(12(6-9)21-5-1-2-14(21)23)15(24)20-16-19-10(8-25-16)7-13(18)22/h3-4,6,8H,1-2,5,7H2,(H2,18,22)(H,19,20,24)
InChIKeyDLQHNHAWERORBY-UHFFFAOYSA-N
XLogP2.20
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide
CID 35889946
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 35853287
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
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4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
[2-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoate
CID 55425828
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide (CID 29289656) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide is NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DLQHNHAWERORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-9-3-4-11(12(6-9)21-5-1-2-14(21)23)15(24)20-16-19-10(8-25-16)7-13(18)22/h3-4,6,8H,1-2,5,7H2,(H2,18,22)(H,19,20,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 378.84 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-chloro-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 29289656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).