1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea

C9H14N4OS — CID 91927102

IUPAC1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea
SMILESCNC(=O)Nc1csc(N2CCCC2)n1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)11-7-6-15-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,14)
InChIKeyDQJXCMGEKMNAJS-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea

1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea (PubChem CID 91927102) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea
PubChem CID91927102
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea
SMILESCNC(=O)Nc1csc(N2CCCC2)n1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)11-7-6-15-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,14)
InChIKeyDQJXCMGEKMNAJS-UHFFFAOYSA-N
XLogP1.49
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 151079036
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
2-(azepan-1-yl)-4-chloro-1,3-thiazole
CID 83155585
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
2-piperidin-1-yl-4-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)propan-2-yl]-1,3-thiazole
CID 27060618
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea (CID 91927102) is 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea is CNC(=O)Nc1csc(N2CCCC2)n1.
What is the InChIKey of 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea?
The InChIKey is DQJXCMGEKMNAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-8(14)11-7-6-15-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,14).
What are the key properties of 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea?
1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea has a molecular weight of 226.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 91927102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).