1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

C16H22N4OS — CID 154739597

IUPAC1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2nc(C(C)C)cs2)c(C)n1
InChIInChI=1S/C16H22N4OS/c1-9(2)13-8-22-14(19-13)7-17-16(21)20-15-10(3)6-11(4)18-12(15)5/h6,8-9H,7H2,1-5H3,(H2,17,20,21)
InChIKeyFVQVYMWIJXLYTE-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.91
Rot. Bonds4

About 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (PubChem CID 154739597) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
PubChem CID154739597
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2nc(C(C)C)cs2)c(C)n1
InChIInChI=1S/C16H22N4OS/c1-9(2)13-8-22-14(19-13)7-17-16(21)20-15-10(3)6-11(4)18-12(15)5/h6,8-9H,7H2,1-5H3,(H2,17,20,21)
InChIKeyFVQVYMWIJXLYTE-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The IUPAC name of 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (CID 154739597) is 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is Cc1cc(C)c(NC(=O)NCc2nc(C(C)C)cs2)c(C)n1.
What is the InChIKey of 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The InChIKey is FVQVYMWIJXLYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-9(2)13-8-22-14(19-13)7-17-16(21)20-15-10(3)6-11(4)18-12(15)5/h6,8-9H,7H2,1-5H3,(H2,17,20,21).
What are the key properties of 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea has a molecular weight of 318.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is sourced from PubChem (CID 154739597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).