4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide

C12H17N7OS — CID 116672432

IUPAC4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCCn1ccnn1
InChIInChI=1S/C12H17N7OS/c13-10-9(21-12(17-10)16-8-2-1-3-8)11(20)14-4-6-19-7-5-15-18-19/h5,7-8H,1-4,6,13H2,(H,14,20)(H,16,17)
InChIKeyHKBWLGLBQNPVEJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.71
Rot. Bonds6

About 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116672432) has the molecular formula C12H17N7OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116672432
Molecular FormulaC12H17N7OS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)NCCn1ccnn1
InChIInChI=1S/C12H17N7OS/c13-10-9(21-12(17-10)16-8-2-1-3-8)11(20)14-4-6-19-7-5-15-18-19/h5,7-8H,1-4,6,13H2,(H,14,20)(H,16,17)
InChIKeyHKBWLGLBQNPVEJ-UHFFFAOYSA-N
XLogP0.71
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116668669
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103012934
4-amino-2-(cyclopropylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 116670620
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116672432) is 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)NCCn1ccnn1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HKBWLGLBQNPVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS/c13-10-9(21-12(17-10)16-8-2-1-3-8)11(20)14-4-6-19-7-5-15-18-19/h5,7-8H,1-4,6,13H2,(H,14,20)(H,16,17).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).