1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea

C19H22N4OS — CID 11688959

IUPAC1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea
SMILESCC(C)N(C)Cc1csc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)23(3)11-17-12-25-19(21-17)22-18(24)20-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12-13H,11H2,1-3H3,(H2,20,21,22,24)
InChIKeyHROVVUIJSQRAJL-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.78
Rot. Bonds5

About 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea

1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea (PubChem CID 11688959) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea
PubChem CID11688959
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea
SMILESCC(C)N(C)Cc1csc(NC(=O)Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)23(3)11-17-12-25-19(21-17)22-18(24)20-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12-13H,11H2,1-3H3,(H2,20,21,22,24)
InChIKeyHROVVUIJSQRAJL-UHFFFAOYSA-N
XLogP4.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea 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-fluoro-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11544581
1-(3-acetyl-4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11689052
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11567293
1-(2-methyl-1,3-benzothiazol-5-yl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 11603230
1-(4-methylphenyl)-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea;2,2,2-trifluoroacetic acid
CID 11633402
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
1-[(1-ethylimidazol-2-yl)methyl]-3-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]urea
CID 21090598
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-naphthalen-1-ylpropanamide
CID 27453760
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea (CID 11688959) is 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea is CC(C)N(C)Cc1csc(NC(=O)Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea?
The InChIKey is HROVVUIJSQRAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13(2)23(3)11-17-12-25-19(21-17)22-18(24)20-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,12-13H,11H2,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea?
1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 354.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 11688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).