1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

C15H21N5O2S — CID 95899324

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCc1nc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cs1
InChIInChI=1S/C15H21N5O2S/c1-11-17-13(10-23-11)7-19(2)15(21)18-12-6-16-20(8-12)9-14-4-3-5-22-14/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOASYHGWTEQIILK-AWEZNQCLSA-N
MW335.43 g/mol
LogP2.49
Rot. Bonds5

About 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (PubChem CID 95899324) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
PubChem CID95899324
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
SMILESCc1nc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cs1
InChIInChI=1S/C15H21N5O2S/c1-11-17-13(10-23-11)7-19(2)15(21)18-12-6-16-20(8-12)9-14-4-3-5-22-14/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOASYHGWTEQIILK-AWEZNQCLSA-N
XLogP2.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]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-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94815064
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 121145254
1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899503
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea (CID 95899324) is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is Cc1nc(CN(C)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cs1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
The InChIKey is OASYHGWTEQIILK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-17-13(10-23-11)7-19(2)15(21)18-12-6-16-20(8-12)9-14-4-3-5-22-14/h6,8,10,14H,3-5,7,9H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea?
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 95899324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).