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

C15H17N3O2S — CID 111437554

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3O2S/c19-14(17-10-15(20)6-1-7-15)18-12-4-2-11(3-5-12)13-16-8-9-21-13/h2-5,8-9,20H,1,6-7,10H2,(H2,17,18,19)
InChIKeyZSFPWUXYJXQAMU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.85
Rot. Bonds4

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

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 111437554) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID111437554
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCC1(O)CCC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H17N3O2S/c19-14(17-10-15(20)6-1-7-15)18-12-4-2-11(3-5-12)13-16-8-9-21-13/h2-5,8-9,20H,1,6-7,10H2,(H2,17,18,19)
InChIKeyZSFPWUXYJXQAMU-UHFFFAOYSA-N
XLogP2.85
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(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-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
CID 81179825
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 111437554) is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea is O=C(NCC1(O)CCC1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is ZSFPWUXYJXQAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(17-10-15(20)6-1-7-15)18-12-4-2-11(3-5-12)13-16-8-9-21-13/h2-5,8-9,20H,1,6-7,10H2,(H2,17,18,19).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 303.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111437554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).