4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C16H26N2O2S — CID 64542838

IUPAC4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc(C(C)O)cs2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-4-5-12-6-8-13(9-7-12)15(20)18-16-17-14(10-21-16)11(2)19/h10-13,19H,3-9H2,1-2H3,(H,17,18,20)
InChIKeyXCSRINWEQVSKHD-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.13
Rot. Bonds6

About 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 64542838) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID64542838
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc(C(C)O)cs2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-4-5-12-6-8-13(9-7-12)15(20)18-16-17-14(10-21-16)11(2)19/h10-13,19H,3-9H2,1-2H3,(H,17,18,20)
InChIKeyXCSRINWEQVSKHD-UHFFFAOYSA-N
XLogP4.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 64542838) is 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc(C(C)O)cs2)CC1.
What is the InChIKey of 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is XCSRINWEQVSKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-4-5-12-6-8-13(9-7-12)15(20)18-16-17-14(10-21-16)11(2)19/h10-13,19H,3-9H2,1-2H3,(H,17,18,20).
What are the key properties of 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64542838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).