4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

C14H20N4OS2 — CID 116671308

IUPAC4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(C)CCc2cccs2)s1
InChIInChI=1S/C14H20N4OS2/c1-3-7-16-14-17-12(15)11(21-14)13(19)18(2)8-6-10-5-4-9-20-10/h4-5,9H,3,6-8,15H2,1-2H3,(H,16,17)
InChIKeyNJYORFYETNIFAI-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.92
Rot. Bonds7

About 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671308) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116671308
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(C)CCc2cccs2)s1
InChIInChI=1S/C14H20N4OS2/c1-3-7-16-14-17-12(15)11(21-14)13(19)18(2)8-6-10-5-4-9-20-10/h4-5,9H,3,6-8,15H2,1-2H3,(H,16,17)
InChIKeyNJYORFYETNIFAI-UHFFFAOYSA-N
XLogP2.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79489443
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 79494822
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 116671308) is 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)N(C)CCc2cccs2)s1.
What is the InChIKey of 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NJYORFYETNIFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-3-7-16-14-17-12(15)11(21-14)13(19)18(2)8-6-10-5-4-9-20-10/h4-5,9H,3,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).