1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride

C12H21ClN4OS — CID 53406202

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H
InChIKeyFWKJNQGHVJIROC-UHFFFAOYSA-N
MW304.85 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride (PubChem CID 53406202) has the molecular formula C12H21ClN4OS and a molecular weight of 304.85 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
PubChem CID53406202
Molecular FormulaC12H21ClN4OS
Molecular Weight304.85 g/mol
Exact Mass304.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl
InChIInChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H
InChIKeyFWKJNQGHVJIROC-UHFFFAOYSA-N
XLogP2.35
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride 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

1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
CID 87173211
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389199
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119426693
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 47745330
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride (CID 53406202) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride is CC(C)(C)c1csc(NC(=O)NC2CCNC2)n1.Cl.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
The InChIKey is FWKJNQGHVJIROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS.ClH/c1-12(2,3)9-7-18-11(15-9)16-10(17)14-8-4-5-13-6-8;/h7-8,13H,4-6H2,1-3H3,(H2,14,15,16,17);1H.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride has a molecular weight of 304.85 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride is sourced from PubChem (CID 53406202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).