3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea

C17H29N3O2S — CID 97330875

IUPAC3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
SMILESCN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1csc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2S/c1-17(2,3)15-19-13(11-23-15)8-9-18-16(22)20(4)10-12-6-5-7-14(12)21/h11-12,14,21H,5-10H2,1-4H3,(H,18,22)/t12-,14+/m1/s1
InChIKeyTURNRTVLUITOND-OCCSQVGLSA-N
MW339.51 g/mol
LogP2.79
Rot. Bonds5

About 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea

3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea (PubChem CID 97330875) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
PubChem CID97330875
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
SMILESCN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1csc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O2S/c1-17(2,3)15-19-13(11-23-15)8-9-18-16(22)20(4)10-12-6-5-7-14(12)21/h11-12,14,21H,5-10H2,1-4H3,(H,18,22)/t12-,14+/m1/s1
InChIKeyTURNRTVLUITOND-OCCSQVGLSA-N
XLogP2.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea 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

3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 75437494
2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397882
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398881
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398829
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea?
The IUPAC name of 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea (CID 97330875) is 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea?
The canonical SMILES for 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea is CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1csc(C(C)(C)C)n1.
What is the InChIKey of 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea?
The InChIKey is TURNRTVLUITOND-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-17(2,3)15-19-13(11-23-15)8-9-18-16(22)20(4)10-12-6-5-7-14(12)21/h11-12,14,21H,5-10H2,1-4H3,(H,18,22)/t12-,14+/m1/s1.
What are the key properties of 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea?
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea has a molecular weight of 339.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea is sourced from PubChem (CID 97330875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).