1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea

C7H11N3OS — CID 130685476

IUPAC1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea
SMILESCCNC(=O)Nc1cnc(C)s1
InChIInChI=1S/C7H11N3OS/c1-3-8-7(11)10-6-4-9-5(2)12-6/h4H,3H2,1-2H3,(H2,8,10,11)
InChIKeyBPABADFNXNVQOX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.59
Rot. Bonds2

About 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea

1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea (PubChem CID 130685476) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea
PubChem CID130685476
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea
SMILESCCNC(=O)Nc1cnc(C)s1
InChIInChI=1S/C7H11N3OS/c1-3-8-7(11)10-6-4-9-5(2)12-6/h4H,3H2,1-2H3,(H2,8,10,11)
InChIKeyBPABADFNXNVQOX-UHFFFAOYSA-N
XLogP1.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1,3-thiazol-5-yl)propanamide
CID 131084438
N'-(2-methyl-1,3-thiazol-5-yl)propanediamide
CID 131203422
N-(2-methyl-1,3-thiazol-5-yl)-4-oxobutanamide
CID 130686013
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 142696172
N,2-dimethyl-1,3-thiazol-5-amine
CID 57211642
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
5-fluoro-4-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 146080351
3-fluoro-5-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 146074796
2-cyclopropyl-6-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 146080117
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea (CID 130685476) is 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea is CCNC(=O)Nc1cnc(C)s1.
What is the InChIKey of 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea?
The InChIKey is BPABADFNXNVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-8-7(11)10-6-4-9-5(2)12-6/h4H,3H2,1-2H3,(H2,8,10,11).
What are the key properties of 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea?
1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea has a molecular weight of 185.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 130685476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).