methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate

C18H29N3O3S — CID 146122556

IUPACmethyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)NCC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)14-8-6-5-7-12(14)10-19-16(23)21-17-20-13(11-25-17)9-15(22)24-4/h11-12,14H,5-10H2,1-4H3,(H2,19,20,21,23)
InChIKeyBTZCWQZKOQYCGN-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.83
Rot. Bonds5

About methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 146122556) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID146122556
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Namemethyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)NCC2CCCCC2C(C)(C)C)n1
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)14-8-6-5-7-12(14)10-19-16(23)21-17-20-13(11-25-17)9-15(22)24-4/h11-12,14H,5-10H2,1-4H3,(H2,19,20,21,23)
InChIKeyBTZCWQZKOQYCGN-UHFFFAOYSA-N
XLogP3.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
methyl 2-[2-(2,2,2-trifluoroethylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 115601152
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
methyl 2-[2-[(2-cyclohexyloxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 51087089
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71976469
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 54938697
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate (CID 146122556) is methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)NCC2CCCCC2C(C)(C)C)n1.
What is the InChIKey of methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is BTZCWQZKOQYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-18(2,3)14-8-6-5-7-12(14)10-19-16(23)21-17-20-13(11-25-17)9-15(22)24-4/h11-12,14H,5-10H2,1-4H3,(H2,19,20,21,23).
What are the key properties of methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 367.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 146122556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).