N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C14H16N2O2S2 — CID 111118283

IUPACN-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C14H16N2O2S2/c17-11-3-1-10(2-4-11)16-13(18)12-7-15-14(20-12)9-5-6-19-8-9/h5-8,10-11,17H,1-4H2,(H,16,18)
InChIKeyKDVRPQNNQUFPDB-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.90
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 111118283) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID111118283
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C14H16N2O2S2/c17-11-3-1-10(2-4-11)16-13(18)12-7-15-14(20-12)9-5-6-19-8-9/h5-8,10-11,17H,1-4H2,(H,16,18)
InChIKeyKDVRPQNNQUFPDB-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 111118283) is N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is O=C(NC1CCC(O)CC1)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KDVRPQNNQUFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-11-3-1-10(2-4-11)16-13(18)12-7-15-14(20-12)9-5-6-19-8-9/h5-8,10-11,17H,1-4H2,(H,16,18).
What are the key properties of N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111118283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).