N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C13H16N2O2S2 — CID 46628023

IUPACN-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOCCCNC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C13H16N2O2S2/c1-9-11(12(16)14-5-3-6-17-2)19-13(15-9)10-4-7-18-8-10/h4,7-8H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyHETAPJJWIURXKS-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.95
Rot. Bonds6

About N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 46628023) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID46628023
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOCCCNC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C13H16N2O2S2/c1-9-11(12(16)14-5-3-6-17-2)19-13(15-9)10-4-7-18-8-10/h4,7-8H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyHETAPJJWIURXKS-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56524507
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24503890
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8533303
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 46628023) is N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COCCCNC(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HETAPJJWIURXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9-11(12(16)14-5-3-6-17-2)19-13(15-9)10-4-7-18-8-10/h4,7-8H,3,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).