2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide

C9H15N3OS — CID 62788191

IUPAC2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC)C(=O)c1csc(N)n1
InChIInChI=1S/C9H15N3OS/c1-3-5-12(4-2)8(13)7-6-14-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGGTCPOZVGHRABN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.60
Rot. Bonds4

About 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide

2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 62788191) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID62788191
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC)C(=O)c1csc(N)n1
InChIInChI=1S/C9H15N3OS/c1-3-5-12(4-2)8(13)7-6-14-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGGTCPOZVGHRABN-UHFFFAOYSA-N
XLogP1.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788947
propyl 2-amino-1,3-thiazole-4-carboxylate
CID 58670395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide (CID 62788191) is 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(CC)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is GGTCPOZVGHRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-5-12(4-2)8(13)7-6-14-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide?
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).