2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide

C19H31N3O2S — CID 154773284

IUPAC2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCCC(C)C(=O)NCC1(NC(=O)c2cnc(CC)s2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-4-9-14(3)17(23)21-13-19(10-7-6-8-11-19)22-18(24)15-12-20-16(5-2)25-15/h12,14H,4-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVFFWWZCMYXACEU-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.69
Rot. Bonds8

About 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 154773284) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID154773284
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCCC(C)C(=O)NCC1(NC(=O)c2cnc(CC)s2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-4-9-14(3)17(23)21-13-19(10-7-6-8-11-19)22-18(24)15-12-20-16(5-2)25-15/h12,14H,4-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVFFWWZCMYXACEU-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide (CID 154773284) is 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide is CCCC(C)C(=O)NCC1(NC(=O)c2cnc(CC)s2)CCCCC1.
What is the InChIKey of 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VFFWWZCMYXACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-4-9-14(3)17(23)21-13-19(10-7-6-8-11-19)22-18(24)15-12-20-16(5-2)25-15/h12,14H,4-11,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(2-methylpentanoylamino)methyl]cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154773284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).