1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea

C17H21N3O2S — CID 167847893

IUPAC1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
SMILESCc1csc(-c2cccc(NC(=O)N(C)CC3(O)CCC3)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-12-10-23-15(18-12)13-5-3-6-14(9-13)19-16(21)20(2)11-17(22)7-4-8-17/h3,5-6,9-10,22H,4,7-8,11H2,1-2H3,(H,19,21)
InChIKeyLOSOABZJMLUWIG-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.50
Rot. Bonds4

About 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea

1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea (PubChem CID 167847893) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
PubChem CID167847893
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
SMILESCc1csc(-c2cccc(NC(=O)N(C)CC3(O)CCC3)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-12-10-23-15(18-12)13-5-3-6-14(9-13)19-16(21)20(2)11-17(22)7-4-8-17/h3,5-6,9-10,22H,4,7-8,11H2,1-2H3,(H,19,21)
InChIKeyLOSOABZJMLUWIG-UHFFFAOYSA-N
XLogP3.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]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-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
CID 172895967
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111754825
trans-(1R,3R)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 172890029
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929298
N,N-bis(2-cyanoethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 166211949
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 120929303
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24647124
N-[(1-aminocyclohexyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
CID 120998697
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea (CID 167847893) is 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea is Cc1csc(-c2cccc(NC(=O)N(C)CC3(O)CCC3)c2)n1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is LOSOABZJMLUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-10-23-15(18-12)13-5-3-6-14(9-13)19-16(21)20(2)11-17(22)7-4-8-17/h3,5-6,9-10,22H,4,7-8,11H2,1-2H3,(H,19,21).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 331.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 167847893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).