1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C14H24N4O2S — CID 111619178

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1nc(CNC(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C14H24N4O2S/c1-18(2)14-17-11(9-21-14)8-16-13(20)15-7-10-4-3-5-12(19)6-10/h9-10,12,19H,3-8H2,1-2H3,(H2,15,16,20)
InChIKeyBAYFKKFFBMBUHS-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.56
Rot. Bonds5

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111619178) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111619178
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1nc(CNC(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C14H24N4O2S/c1-18(2)14-17-11(9-21-14)8-16-13(20)15-7-10-4-3-5-12(19)6-10/h9-10,12,19H,3-8H2,1-2H3,(H2,15,16,20)
InChIKeyBAYFKKFFBMBUHS-UHFFFAOYSA-N
XLogP1.56
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea 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-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505745
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079359
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111619178) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CN(C)c1nc(CNC(=O)NCC2CCCC(O)C2)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is BAYFKKFFBMBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-18(2)14-17-11(9-21-14)8-16-13(20)15-7-10-4-3-5-12(19)6-10/h9-10,12,19H,3-8H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 312.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111619178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).