1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C19H31N3OS — CID 11291027

IUPAC1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCC(C)CC2)s1
InChIInChI=1S/C19H31N3OS/c1-13-4-8-16(9-5-13)22(17-10-6-14(2)7-11-17)19(23)21-18-20-12-15(3)24-18/h12-14,16-17H,4-11H2,1-3H3,(H,20,21,23)
InChIKeyQZGOBJKDROJWPE-UHFFFAOYSA-N
MW349.54 g/mol
LogP5.44
Rot. Bonds3

About 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 11291027) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID11291027
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCC(C)CC2)s1
InChIInChI=1S/C19H31N3OS/c1-13-4-8-16(9-5-13)22(17-10-6-14(2)7-11-17)19(23)21-18-20-12-15(3)24-18/h12-14,16-17H,4-11H2,1-3H3,(H,20,21,23)
InChIKeyQZGOBJKDROJWPE-UHFFFAOYSA-N
XLogP5.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 11291027) is 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)N(C2CCC(C)CC2)C2CCC(C)CC2)s1.
What is the InChIKey of 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QZGOBJKDROJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-13-4-8-16(9-5-13)22(17-10-6-14(2)7-11-17)19(23)21-18-20-12-15(3)24-18/h12-14,16-17H,4-11H2,1-3H3,(H,20,21,23).
What are the key properties of 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 349.54 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 11291027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).