4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide

C12H18N4OS — CID 116673291

IUPAC4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
SMILESCC1CC(NC(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C12H18N4OS/c1-6-4-8(5-6)14-11(17)9-10(13)16-12(18-9)15-7-2-3-7/h6-8H,2-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeySPLRLGYKONJLOA-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116673291) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
PubChem CID116673291
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
SMILESCC1CC(NC(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C12H18N4OS/c1-6-4-8(5-6)14-11(17)9-10(13)16-12(18-9)15-7-2-3-7/h6-8H,2-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeySPLRLGYKONJLOA-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-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-(cyclopropylamino)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 116667070
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(tert-butylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673285
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
4-amino-N-(3,5-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667071
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 114633060
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide (CID 116673291) is 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide is CC1CC(NC(=O)c2sc(NC3CC3)nc2N)C1.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SPLRLGYKONJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-6-4-8(5-6)14-11(17)9-10(13)16-12(18-9)15-7-2-3-7/h6-8H,2-5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).