1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide

C19H21N5OS — CID 72938295

IUPAC1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1nc2ccc(-n3nc(C4CCCC4)nc3C3(C(N)=O)CC3)cc2s1
InChIInChI=1S/C19H21N5OS/c1-11-21-14-7-6-13(10-15(14)26-11)24-18(19(8-9-19)17(20)25)22-16(23-24)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,20,25)
InChIKeyWWLNJXHNZBIYPG-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.36
Rot. Bonds4

About 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide

1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 72938295) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
PubChem CID72938295
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1nc2ccc(-n3nc(C4CCCC4)nc3C3(C(N)=O)CC3)cc2s1
InChIInChI=1S/C19H21N5OS/c1-11-21-14-7-6-13(10-15(14)26-11)24-18(19(8-9-19)17(20)25)22-16(23-24)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,20,25)
InChIKeyWWLNJXHNZBIYPG-UHFFFAOYSA-N
XLogP3.36
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide (CID 72938295) is 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide is Cc1nc2ccc(-n3nc(C4CCCC4)nc3C3(C(N)=O)CC3)cc2s1.
What is the InChIKey of 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is WWLNJXHNZBIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-11-21-14-7-6-13(10-15(14)26-11)24-18(19(8-9-19)17(20)25)22-16(23-24)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,20,25).
What are the key properties of 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide?
1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopentyl-2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72938295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).