3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide

C17H23N3OS2 — CID 119696591

IUPAC3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCCC(N)C3)s2)cs1
InChIInChI=1S/C17H23N3OS2/c1-11-20-15(10-22-11)16-6-5-14(23-16)7-8-19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-13H,2-4,7-9,18H2,1H3,(H,19,21)
InChIKeyMDGOIWHNHVQEHB-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.36
Rot. Bonds5

About 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 119696591) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID119696591
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCCC(N)C3)s2)cs1
InChIInChI=1S/C17H23N3OS2/c1-11-20-15(10-22-11)16-6-5-14(23-16)7-8-19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-13H,2-4,7-9,18H2,1H3,(H,19,21)
InChIKeyMDGOIWHNHVQEHB-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperidine-4-carboxamide
CID 18120375
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103809468
(2S,5R)-5-(aminomethyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]oxolane-2-carboxamide
CID 120784952
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119696616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide (CID 119696591) is 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide is Cc1nc(-c2ccc(CCNC(=O)C3CCCC(N)C3)s2)cs1.
What is the InChIKey of 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is MDGOIWHNHVQEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-11-20-15(10-22-11)16-6-5-14(23-16)7-8-19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-13H,2-4,7-9,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 349.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119696591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).