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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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).