3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide

C14H15ClN2O3S2 — CID 158062349

IUPAC3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide
SMILESCCCc1csc(NC(=O)c2ccc(C)c(Cl)c2)n1.O=S=O
InChIInChI=1S/C14H15ClN2OS.O2S/c1-3-4-11-8-19-14(16-11)17-13(18)10-6-5-9(2)12(15)7-10;1-3-2/h5-8H,3-4H2,1-2H3,(H,16,17,18);
InChIKeyFKUMPLBAPADVTH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.64
Rot. Bonds4

About 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide

3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide (PubChem CID 158062349) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide
PubChem CID158062349
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide
SMILESCCCc1csc(NC(=O)c2ccc(C)c(Cl)c2)n1.O=S=O
InChIInChI=1S/C14H15ClN2OS.O2S/c1-3-4-11-8-19-14(16-11)17-13(18)10-6-5-9(2)12(15)7-10;1-3-2/h5-8H,3-4H2,1-2H3,(H,16,17,18);
InChIKeyFKUMPLBAPADVTH-UHFFFAOYSA-N
XLogP3.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 63195472
2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 43322575
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 43140302
4-chloro-N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41230136
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26841961
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide?
The IUPAC name of 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide (CID 158062349) is 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide.
What is the SMILES notation for 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide?
The canonical SMILES for 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide is CCCc1csc(NC(=O)c2ccc(C)c(Cl)c2)n1.O=S=O.
What is the InChIKey of 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide?
The InChIKey is FKUMPLBAPADVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS.O2S/c1-3-4-11-8-19-14(16-11)17-13(18)10-6-5-9(2)12(15)7-10;1-3-2/h5-8H,3-4H2,1-2H3,(H,16,17,18);.
What are the key properties of 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide?
3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide has a molecular weight of 358.87 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide is sourced from PubChem (CID 158062349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).