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

C16H27N3O2S — CID 110012374

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)N(C)CC1CCCCC1O)c1nc(C)cs1
InChIInChI=1S/C16H27N3O2S/c1-4-13(15-17-11(2)10-22-15)18-16(21)19(3)9-12-7-5-6-8-14(12)20/h10,12-14,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyOOVBZJRYOPOVKW-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.10
Rot. Bonds5

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

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 110012374) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID110012374
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)N(C)CC1CCCCC1O)c1nc(C)cs1
InChIInChI=1S/C16H27N3O2S/c1-4-13(15-17-11(2)10-22-15)18-16(21)19(3)9-12-7-5-6-8-14(12)20/h10,12-14,20H,4-9H2,1-3H3,(H,18,21)
InChIKeyOOVBZJRYOPOVKW-UHFFFAOYSA-N
XLogP3.10
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598
1-methyl-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
CID 96520322
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110003457
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 110012374) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)N(C)CC1CCCCC1O)c1nc(C)cs1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is OOVBZJRYOPOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-13(15-17-11(2)10-22-15)18-16(21)19(3)9-12-7-5-6-8-14(12)20/h10,12-14,20H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 325.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 110012374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).