1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea

C17H26N4OS — CID 96520122

IUPAC1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea
SMILESCc1csc([C@@H](NC(=O)NC[C@H]2CCN(C3CC3)C2)C2CC2)n1
InChIInChI=1S/C17H26N4OS/c1-11-10-23-16(19-11)15(13-2-3-13)20-17(22)18-8-12-6-7-21(9-12)14-4-5-14/h10,12-15H,2-9H2,1H3,(H2,18,20,22)/t12-,15+/m1/s1
InChIKeyGQDRTNJMBMMBMC-DOMZBBRYSA-N
MW334.49 g/mol
LogP2.69
Rot. Bonds6

About 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea

1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea (PubChem CID 96520122) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea
PubChem CID96520122
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea
SMILESCc1csc([C@@H](NC(=O)NC[C@H]2CCN(C3CC3)C2)C2CC2)n1
InChIInChI=1S/C17H26N4OS/c1-11-10-23-16(19-11)15(13-2-3-13)20-17(22)18-8-12-6-7-21(9-12)14-4-5-14/h10,12-15H,2-9H2,1H3,(H2,18,20,22)/t12-,15+/m1/s1
InChIKeyGQDRTNJMBMMBMC-DOMZBBRYSA-N
XLogP2.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea 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-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111507979
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 95934122
N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 95967654
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 97073699
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
2-[1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374683
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97228796

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea (CID 96520122) is 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea is Cc1csc([C@@H](NC(=O)NC[C@H]2CCN(C3CC3)C2)C2CC2)n1.
What is the InChIKey of 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea?
The InChIKey is GQDRTNJMBMMBMC-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-11-10-23-16(19-11)15(13-2-3-13)20-17(22)18-8-12-6-7-21(9-12)14-4-5-14/h10,12-15H,2-9H2,1H3,(H2,18,20,22)/t12-,15+/m1/s1.
What are the key properties of 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea?
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea has a molecular weight of 334.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 96520122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).