4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

C13H20N6OS — CID 116666076

IUPAC4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCc2nccn2C)s1
InChIInChI=1S/C13H20N6OS/c1-4-19(5-2)13-17-11(14)10(21-13)12(20)16-8-9-15-6-7-18(9)3/h6-7H,4-5,8,14H2,1-3H3,(H,16,20)
InChIKeyIBWAOCUSMCEWOI-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116666076) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116666076
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCc2nccn2C)s1
InChIInChI=1S/C13H20N6OS/c1-4-19(5-2)13-17-11(14)10(21-13)12(20)16-8-9-15-6-7-18(9)3/h6-7H,4-5,8,14H2,1-3H3,(H,16,20)
InChIKeyIBWAOCUSMCEWOI-UHFFFAOYSA-N
XLogP1.24
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(diethylamino)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663589
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-(diethylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665473
2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629
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-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65362915
4-amino-2-(diethylamino)-N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116673688
4-amino-2-(diethylamino)-N-pent-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233150
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
4-amino-2-(diethylamino)-N-(1-methylsulfinylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116672740

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116666076) is 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NCc2nccn2C)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IBWAOCUSMCEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-19(5-2)13-17-11(14)10(21-13)12(20)16-8-9-15-6-7-18(9)3/h6-7H,4-5,8,14H2,1-3H3,(H,16,20).
What are the key properties of 4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.24, 6 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-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).