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

C16H27N3O2S — CID 111104396

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(C)(C)c1csc(CNC(=O)NCC2(O)CCCCC2)n1
InChIInChI=1S/C16H27N3O2S/c1-15(2,3)12-10-22-13(19-12)9-17-14(20)18-11-16(21)7-5-4-6-8-16/h10,21H,4-9,11H2,1-3H3,(H2,17,18,20)
InChIKeyPANOIUWLXGSRTO-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.93
Rot. Bonds4

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 111104396) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID111104396
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(C)(C)c1csc(CNC(=O)NCC2(O)CCCCC2)n1
InChIInChI=1S/C16H27N3O2S/c1-15(2,3)12-10-22-13(19-12)9-17-14(20)18-11-16(21)7-5-4-6-8-16/h10,21H,4-9,11H2,1-3H3,(H2,17,18,20)
InChIKeyPANOIUWLXGSRTO-UHFFFAOYSA-N
XLogP2.93
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104385
1-[(1-hydroxycyclohexyl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455786
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119878896
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 111104396) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea is CC(C)(C)c1csc(CNC(=O)NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is PANOIUWLXGSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-15(2,3)12-10-22-13(19-12)9-17-14(20)18-11-16(21)7-5-4-6-8-16/h10,21H,4-9,11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 325.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111104396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).