N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H19N3O2S2 — CID 46998479

IUPACN-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C15H19N3O2S2/c1-10(13-16-7-9-22-13)18(4)14(20)15(2,3)17-12(19)11-6-5-8-21-11/h5-10H,1-4H3,(H,17,19)
InChIKeyGZTMJYTYGYZPDA-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.93
Rot. Bonds5

About N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 46998479) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID46998479
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)C(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C15H19N3O2S2/c1-10(13-16-7-9-22-13)18(4)14(20)15(2,3)17-12(19)11-6-5-8-21-11/h5-10H,1-4H3,(H,17,19)
InChIKeyGZTMJYTYGYZPDA-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46986800
N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 131908040
2-(ethylamino)-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62834566
N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
CID 14552694
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 99995878

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 46998479) is N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(c1nccs1)N(C)C(=O)C(C)(C)NC(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is GZTMJYTYGYZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10(13-16-7-9-22-13)18(4)14(20)15(2,3)17-12(19)11-6-5-8-21-11/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).