4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

C14H18N4OS2 — CID 116671641

IUPAC4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccsc1CNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H18N4OS2/c1-2-8-5-6-20-10(8)7-16-13(19)11-12(15)18-14(21-11)17-9-3-4-9/h5-6,9H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOCTQTEDPRMWOHP-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.85
Rot. Bonds6

About 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671641) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116671641
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ccsc1CNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C14H18N4OS2/c1-2-8-5-6-20-10(8)7-16-13(19)11-12(15)18-14(21-11)17-9-3-4-9/h5-6,9H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOCTQTEDPRMWOHP-UHFFFAOYSA-N
XLogP2.85
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-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-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671637
4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665966
4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106898376
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 116666359
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116671641) is 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCc1ccsc1CNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OCTQTEDPRMWOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-2-8-5-6-20-10(8)7-16-13(19)11-12(15)18-14(21-11)17-9-3-4-9/h5-6,9H,2-4,7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).