1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea

C16H21N3OS — CID 162671145

IUPAC1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-12(2)19(3)16(20)17-10-9-14-11-21-15(18-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyZVEZZFAGMRKHKJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds5

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

1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea (PubChem CID 162671145) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea
PubChem CID162671145
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(C)C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-12(2)19(3)16(20)17-10-9-14-11-21-15(18-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20)
InChIKeyZVEZZFAGMRKHKJ-UHFFFAOYSA-N
XLogP3.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea (CID 162671145) is 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea is CC(C)N(C)C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea?
The InChIKey is ZVEZZFAGMRKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(2)19(3)16(20)17-10-9-14-11-21-15(18-14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea?
1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea has a molecular weight of 303.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 162671145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).