1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea

C14H18N4OS — CID 110397912

IUPAC1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
SMILESCNc1nc(CCNC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C14H18N4OS/c1-15-14-18-12(10-20-14)7-8-16-13(19)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeySOWOYRZNMGRSLE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.23
Rot. Bonds6

About 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea

1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 110397912) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID110397912
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
SMILESCNc1nc(CCNC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C14H18N4OS/c1-15-14-18-12(10-20-14)7-8-16-13(19)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeySOWOYRZNMGRSLE-UHFFFAOYSA-N
XLogP2.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]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-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
CID 110397924
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea (CID 110397912) is 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea is CNc1nc(CCNC(=O)NCc2ccccc2)cs1.
What is the InChIKey of 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is SOWOYRZNMGRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-15-14-18-12(10-20-14)7-8-16-13(19)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea?
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 290.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 110397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).