[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone

C17H18N6OS — CID 121190107

IUPAC[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18N6OS/c1-11-15(25-17(18-11)21-6-2-3-7-21)16(24)22-8-13(9-22)23-10-14(19-20-23)12-4-5-12/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3
InChIKeyUCRPZZUNRIOYLV-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.41
Rot. Bonds4

About [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 121190107) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID121190107
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H18N6OS/c1-11-15(25-17(18-11)21-6-2-3-7-21)16(24)22-8-13(9-22)23-10-14(19-20-23)12-4-5-12/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3
InChIKeyUCRPZZUNRIOYLV-UHFFFAOYSA-N
XLogP2.41
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91814760
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121189861
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542
(2-bromophenyl)-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121190090
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272631
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 71792940
4-cyclopentyl-2-methyl-5-[1-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114780
1-benzofuran-2-yl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
CID 121189888
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(pyrazin-2-ylamino)azetidin-1-yl]methanone
CID 131702973
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 90641407

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone (CID 121190107) is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is UCRPZZUNRIOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-11-15(25-17(18-11)21-6-2-3-7-21)16(24)22-8-13(9-22)23-10-14(19-20-23)12-4-5-12/h2-3,6-7,10,12-13H,4-5,8-9H2,1H3.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone?
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 121190107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).