N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C15H21N3O2S — CID 165143044

IUPACN-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)/C(N)=C/C(=O)NC(=O)c1csc2c1CCNC2
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)12(16)6-13(19)18-14(20)10-8-21-11-7-17-5-4-9(10)11/h6,8,17H,4-5,7,16H2,1-3H3,(H,18,19,20)/b12-6-
InChIKeyRZOKWZXHURWQLQ-SDQBBNPISA-N
MW307.42 g/mol
LogP1.54
Rot. Bonds2

About N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143044) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143044
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)/C(N)=C/C(=O)NC(=O)c1csc2c1CCNC2
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)12(16)6-13(19)18-14(20)10-8-21-11-7-17-5-4-9(10)11/h6,8,17H,4-5,7,16H2,1-3H3,(H,18,19,20)/b12-6-
InChIKeyRZOKWZXHURWQLQ-SDQBBNPISA-N
XLogP1.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide 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 N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 165143044) is N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is CC(C)(C)/C(N)=C/C(=O)NC(=O)c1csc2c1CCNC2.
What is the InChIKey of N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is RZOKWZXHURWQLQ-SDQBBNPISA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)12(16)6-13(19)18-14(20)10-8-21-11-7-17-5-4-9(10)11/h6,8,17H,4-5,7,16H2,1-3H3,(H,18,19,20)/b12-6-.
What are the key properties of N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-4,4-dimethylpent-2-enoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).