5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 141145815

IUPAC5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCCC3)c(N)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-13-9-7-11(8-10-13)17-20-14(15(18)23-17)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21)
InChIKeyCYKPFYNSUFITCH-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.46
Rot. Bonds4

About 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 141145815) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID141145815
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCCC3)c(N)s2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-13-9-7-11(8-10-13)17-20-14(15(18)23-17)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21)
InChIKeyCYKPFYNSUFITCH-UHFFFAOYSA-N
XLogP3.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 141145815) is 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCCCC3)c(N)s2)cc1.
What is the InChIKey of 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CYKPFYNSUFITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-13-9-7-11(8-10-13)17-20-14(15(18)23-17)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141145815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).