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

C10H18N4OS — CID 63692953

IUPAC2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1csc(N)n1
InChIInChI=1S/C10H18N4OS/c1-13(2)5-4-6-14(3)9(15)8-7-16-10(11)12-8/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyARKPXGVNBOTMMI-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.75
Rot. Bonds5

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

2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63692953) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63692953
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1csc(N)n1
InChIInChI=1S/C10H18N4OS/c1-13(2)5-4-6-14(3)9(15)8-7-16-10(11)12-8/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyARKPXGVNBOTMMI-UHFFFAOYSA-N
XLogP0.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
N-(3-amino-3-hydroxyiminopropyl)-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 77059339
2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 63692953) is 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(C)CCCN(C)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ARKPXGVNBOTMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-13(2)5-4-6-14(3)9(15)8-7-16-10(11)12-8/h7H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63692953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).