N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C15H14ClN3O2S — CID 42478138

IUPACN-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-9-2-3-10(6-12(9)16)18-13(20)7-11-8-22-15-17-5-4-14(21)19(11)15/h2-6,11H,7-8H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyIEBMPTCGHOOIHD-NSHDSACASA-N
MW335.82 g/mol
LogP2.88
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42478138) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID42478138
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)cc1Cl
InChIInChI=1S/C15H14ClN3O2S/c1-9-2-3-10(6-12(9)16)18-13(20)7-11-8-22-15-17-5-4-14(21)19(11)15/h2-6,11H,7-8H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyIEBMPTCGHOOIHD-NSHDSACASA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42478138) is N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2CSc3nccc(=O)n32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is IEBMPTCGHOOIHD-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-2-3-10(6-12(9)16)18-13(20)7-11-8-22-15-17-5-4-14(21)19(11)15/h2-6,11H,7-8H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 335.82 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42478138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).