(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone

C14H12ClNOS — CID 10850177

IUPAC(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)c2n1CCS2
InChIInChI=1S/C14H12ClNOS/c1-9-8-12(14-16(9)6-7-18-14)13(17)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3
InChIKeyBSCJVWSNMCCSFX-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.79
Rot. Bonds2

About (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone

(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone (PubChem CID 10850177) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
PubChem CID10850177
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)c2n1CCS2
InChIInChI=1S/C14H12ClNOS/c1-9-8-12(14-16(9)6-7-18-14)13(17)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3
InChIKeyBSCJVWSNMCCSFX-UHFFFAOYSA-N
XLogP3.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
CID 14289893
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
3-(4-chlorobenzoyl)-5,6-dimethylpyridine-2-carboxylic acid
CID 168886977
4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
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(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
9-(4-chlorobenzoyl)-1-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 10266940
(4-chlorophenyl)-(1,4-dihydroxy-6-methyl-5,8-dihydronaphthalen-2-yl)methanone
CID 11723188
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone (CID 10850177) is (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2)c2n1CCS2.
What is the InChIKey of (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The InChIKey is BSCJVWSNMCCSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-9-8-12(14-16(9)6-7-18-14)13(17)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone has a molecular weight of 277.78 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone is sourced from PubChem (CID 10850177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).