4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide

C13H20N6OS — CID 116663589

IUPAC4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C13H20N6OS/c1-3-19(4-2)13-17-11(14)10(21-13)12(20)16-6-8-18-7-5-15-9-18/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,16,20)
InChIKeyNHDZMXRUQRUUIX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.20
Rot. Bonds7

About 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116663589) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116663589
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCCn2ccnc2)s1
InChIInChI=1S/C13H20N6OS/c1-3-19(4-2)13-17-11(14)10(21-13)12(20)16-6-8-18-7-5-15-9-18/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,16,20)
InChIKeyNHDZMXRUQRUUIX-UHFFFAOYSA-N
XLogP1.20
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylamino)-N-(2-imidazol-1-ylethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47069990
4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116666076
4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963
4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116666701
2-imidazol-1-ylethylurea
CID 61061185
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 116663589) is 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NCCn2ccnc2)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NHDZMXRUQRUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-19(4-2)13-17-11(14)10(21-13)12(20)16-6-8-18-7-5-15-9-18/h5,7,9H,3-4,6,8,14H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).