5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen

C19H26N6O2S — CID 167598535

IUPAC5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen
SMILESNc1cnnn1C1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c2C1.[H][H]
InChIInChI=1S/C19H24N6O2S.H2/c20-15-9-22-24-25(15)12-5-6-14-13(7-12)16(18(27)21-8-10-1-2-10)19(28-14)23-17(26)11-3-4-11;/h9-12H,1-8,20H2,(H,21,27)(H,23,26);1H
InChIKeyJKDOVSGHENOIJI-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.39
Rot. Bonds6

About 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen

5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen (PubChem CID 167598535) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen
PubChem CID167598535
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen
SMILESNc1cnnn1C1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c2C1.[H][H]
InChIInChI=1S/C19H24N6O2S.H2/c20-15-9-22-24-25(15)12-5-6-14-13(7-12)16(18(27)21-8-10-1-2-10)19(28-14)23-17(26)11-3-4-11;/h9-12H,1-8,20H2,(H,21,27)(H,23,26);1H
InChIKeyJKDOVSGHENOIJI-UHFFFAOYSA-N
XLogP2.39
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen?
The IUPAC name of 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen (CID 167598535) is 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen?
The canonical SMILES for 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen is Nc1cnnn1C1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c2C1.[H][H].
What is the InChIKey of 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen?
The InChIKey is JKDOVSGHENOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S.H2/c20-15-9-22-24-25(15)12-5-6-14-13(7-12)16(18(27)21-8-10-1-2-10)19(28-14)23-17(26)11-3-4-11;/h9-12H,1-8,20H2,(H,21,27)(H,23,26);1H.
What are the key properties of 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen?
5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen has a molecular weight of 402.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminotriazol-1-yl)-2-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167598535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).