N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide

C17H22N4O2S — CID 71682058

IUPACN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc(C)c(-c3ccc(N)nc3)s2)CC1
InChIInChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyWNWFDHLMCZOQPH-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.24
Rot. Bonds4

About N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide

N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 71682058) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
PubChem CID71682058
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc(C)c(-c3ccc(N)nc3)s2)CC1
InChIInChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyWNWFDHLMCZOQPH-UHFFFAOYSA-N
XLogP3.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide (CID 71682058) is N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2nc(C)c(-c3ccc(N)nc3)s2)CC1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is WNWFDHLMCZOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-15(12-5-8-14(18)19-9-12)24-17(20-10)21-16(22)11-3-6-13(23-2)7-4-11/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H2,18,19)(H,20,21,22).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide?
N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 71682058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).