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

C13H10ClNOS — CID 14289893

IUPAC(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn2c1SCC2
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-9(2-4-10)12(16)11-5-6-15-7-8-17-13(11)15/h1-6H,7-8H2
InChIKeyNNFCNKCCMAVLSM-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.48
Rot. Bonds2

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

(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone (PubChem CID 14289893) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
PubChem CID14289893
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccn2c1SCC2
InChIInChI=1S/C13H10ClNOS/c14-10-3-1-9(2-4-10)12(16)11-5-6-15-7-8-17-13(11)15/h1-6H,7-8H2
InChIKeyNNFCNKCCMAVLSM-UHFFFAOYSA-N
XLogP3.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
CID 10850177
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4-chloro(13C)benzoic acid
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[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
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(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
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CID 107475645

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone (CID 14289893) is (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccn2c1SCC2.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
The InChIKey is NNFCNKCCMAVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-3-1-9(2-4-10)12(16)11-5-6-15-7-8-17-13(11)15/h1-6H,7-8H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone?
(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone has a molecular weight of 263.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone is sourced from PubChem (CID 14289893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).