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

C18H18N4OS — CID 46948327

IUPAC1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1
InChIInChI=1S/C18H18N4OS/c1-12-7-5-6-10-14(12)20-17(23)22-18-21-15(11-24-18)16(19)13-8-3-2-4-9-13/h2-11,16H,19H2,1H3,(H2,20,21,22,23)
InChIKeyYMMFQEMRZYRZAO-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.14
Rot. Bonds4

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

1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea (PubChem CID 46948327) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea
PubChem CID46948327
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1
InChIInChI=1S/C18H18N4OS/c1-12-7-5-6-10-14(12)20-17(23)22-18-21-15(11-24-18)16(19)13-8-3-2-4-9-13/h2-11,16H,19H2,1H3,(H2,20,21,22,23)
InChIKeyYMMFQEMRZYRZAO-UHFFFAOYSA-N
XLogP4.14
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea (CID 46948327) is 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1nc(C(N)c2ccccc2)cs1.
What is the InChIKey of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea?
The InChIKey is YMMFQEMRZYRZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-7-5-6-10-14(12)20-17(23)22-18-21-15(11-24-18)16(19)13-8-3-2-4-9-13/h2-11,16H,19H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea?
1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea has a molecular weight of 338.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 46948327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).