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

C14H20N4OS2 — CID 116663802

IUPAC4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCc2ccsc2)s1
InChIInChI=1S/C14H20N4OS2/c1-3-7-18(2)14-17-12(15)11(21-14)13(19)16-6-4-10-5-8-20-9-10/h5,8-9H,3-4,6-7,15H2,1-2H3,(H,16,19)
InChIKeyCTGQCFGCUOUGEY-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.61
Rot. Bonds7

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

4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116663802) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116663802
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCc2ccsc2)s1
InChIInChI=1S/C14H20N4OS2/c1-3-7-18(2)14-17-12(15)11(21-14)13(19)16-6-4-10-5-8-20-9-10/h5,8-9H,3-4,6-7,15H2,1-2H3,(H,16,19)
InChIKeyCTGQCFGCUOUGEY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-2-[methyl(propyl)amino]-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673120
4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
CID 116664858
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665962
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide (CID 116663802) is 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NCCc2ccsc2)s1.
What is the InChIKey of 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CTGQCFGCUOUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-3-7-18(2)14-17-12(15)11(21-14)13(19)16-6-4-10-5-8-20-9-10/h5,8-9H,3-4,6-7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).