4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C9H16N6O2S — CID 116672314

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCNC(N)=O)s1
InChIInChI=1S/C9H16N6O2S/c1-15(2)9-14-6(10)5(18-9)7(16)12-3-4-13-8(11)17/h3-4,10H2,1-2H3,(H,12,16)(H3,11,13,17)
InChIKeyQJJARLTZUGSGCY-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.81
Rot. Bonds5

About 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672314) has the molecular formula C9H16N6O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672314
Molecular FormulaC9H16N6O2S
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCNC(N)=O)s1
InChIInChI=1S/C9H16N6O2S/c1-15(2)9-14-6(10)5(18-9)7(16)12-3-4-13-8(11)17/h3-4,10H2,1-2H3,(H,12,16)(H3,11,13,17)
InChIKeyQJJARLTZUGSGCY-UHFFFAOYSA-N
XLogP-0.81
TPSA126.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-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

2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-[2-(methylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106343612
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116672314) is 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCCNC(N)=O)s1.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QJJARLTZUGSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2S/c1-15(2)9-14-6(10)5(18-9)7(16)12-3-4-13-8(11)17/h3-4,10H2,1-2H3,(H,12,16)(H3,11,13,17).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).