(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C10H9ClN4OS — CID 91625205

IUPAC(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(n2ccnn2)C1
InChIInChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-4-3-12-13-15/h1-4,7H,5-6H2
InChIKeyNHVPEDSEZVQTLY-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.69
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91625205) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID91625205
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(n2ccnn2)C1
InChIInChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-4-3-12-13-15/h1-4,7H,5-6H2
InChIKeyNHVPEDSEZVQTLY-UHFFFAOYSA-N
XLogP1.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-thienyl)[(S)-3-(1H-1,2,3-triazol-1-yl)-1-pyrrolidinyl]methanone
CID 99877410
5-chloro-N-[(2R)-3-methyl-1-(triazol-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 129525543
(3-(2H-1,2,3-triazol-2-yl)azetidin-1-yl)(5-chlorothiophen-2-yl)methanone
CID 131701891
(4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl)(5-chlorothiophen-2-yl)methanone
CID 76150929
(3-(1H-1,2,3-triazol-1-yl)azetidin-1-yl)(4-methylthiophen-2-yl)methanone
CID 86265296
(2-((2H-1,2,3-triazol-2-yl)methyl)pyrrolidin-1-yl)(5-chlorothiophen-2-yl)methanone
CID 131703700
N-[[1-[(1E,3Z)-1-amino-5-(2-oxo-1-pyridinyl)hexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 88273717
N-[[1-[(1E,3Z)-1-amino-5-piperidin-1-ylhexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 88273720
N-[[3-[(1E,3Z)-1-amino-5-(1,4-diazepan-1-yl)hexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 89260560
N-[[3-[(1E,3Z)-1-amino-5-piperazin-1-ylhexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 89260561
N-[[3-[(1E,3Z)-1-amino-5-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 89260562
N-[[3-[(1E,3Z)-1-amino-5-(4-methyl-1,4-diazepan-1-yl)hexa-1,3,5-trien-2-yl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 89260578

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 91625205) is (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC(n2ccnn2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is NHVPEDSEZVQTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-4-3-12-13-15/h1-4,7H,5-6H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 268.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91625205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).