[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C23H35N3O3S — CID 174632482

IUPAC[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)CC1
InChIInChI=1S/C23H35N3O3S/c1-23(2,3)22(28)29-25-13-11-16(12-14-25)20-24-19(15-30-20)21(27)26(18-9-10-18)17-7-5-4-6-8-17/h15-18H,4-14H2,1-3H3
InChIKeyNTMJAOJYXFDQGO-UHFFFAOYSA-N
MW433.62 g/mol
LogP4.76
Rot. Bonds5

About [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174632482) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174632482
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)CC1
InChIInChI=1S/C23H35N3O3S/c1-23(2,3)22(28)29-25-13-11-16(12-14-25)20-24-19(15-30-20)21(27)26(18-9-10-18)17-7-5-4-6-8-17/h15-18H,4-14H2,1-3H3
InChIKeyNTMJAOJYXFDQGO-UHFFFAOYSA-N
XLogP4.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174632482) is [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)CC1.
What is the InChIKey of [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is NTMJAOJYXFDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-23(2,3)22(28)29-25-13-11-16(12-14-25)20-24-19(15-30-20)21(27)26(18-9-10-18)17-7-5-4-6-8-17/h15-18H,4-14H2,1-3H3.
What are the key properties of [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 433.62 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[cyclohexyl(cyclopropyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174632482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).