1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C19H25N3O3S — CID 97444546

IUPAC1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1nc(CCNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)sc1C
InChIInChI=1S/C19H25N3O3S/c1-13-14(2)26-18(21-13)9-10-20-19(23)22-15-5-7-16(8-6-15)25-12-17-4-3-11-24-17/h5-8,17H,3-4,9-12H2,1-2H3,(H2,20,22,23)/t17-/m0/s1
InChIKeyVMUKTLMQRYWPIT-KRWDZBQOSA-N
MW375.49 g/mol
LogP3.68
Rot. Bonds7

About 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 97444546) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID97444546
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESCc1nc(CCNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)sc1C
InChIInChI=1S/C19H25N3O3S/c1-13-14(2)26-18(21-13)9-10-20-19(23)22-15-5-7-16(8-6-15)25-12-17-4-3-11-24-17/h5-8,17H,3-4,9-12H2,1-2H3,(H2,20,22,23)/t17-/m0/s1
InChIKeyVMUKTLMQRYWPIT-KRWDZBQOSA-N
XLogP3.68
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]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-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
CID 118790558
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 125160293
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 90650357
1-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 97446058
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[(S)-methylsulfinyl]phenyl]urea
CID 97067073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 97444546) is 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is Cc1nc(CCNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)sc1C.
What is the InChIKey of 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is VMUKTLMQRYWPIT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-14(2)26-18(21-13)9-10-20-19(23)22-15-5-7-16(8-6-15)25-12-17-4-3-11-24-17/h5-8,17H,3-4,9-12H2,1-2H3,(H2,20,22,23)/t17-/m0/s1.
What are the key properties of 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 375.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 97444546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).