N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide

C15H18N2OS2 — CID 2738811

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C15H18N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18)
InChIKeyDDPYWFUJHDDYKU-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.07
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 2738811) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID2738811
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCCCC1
InChIInChI=1S/C15H18N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18)
InChIKeyDDPYWFUJHDDYKU-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347
(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 46385745
1-[2-(4-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973346
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
1-[2-(3-fluorophenyl)acetyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973356
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide;dihydrochloride
CID 119481880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide (CID 2738811) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCCCC1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is DDPYWFUJHDDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-14(11-5-2-1-3-6-11)16-9-12-10-20-15(17-12)13-7-4-8-19-13/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,18).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 306.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 2738811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).