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

C12H23N5OS — CID 116666701

IUPAC4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)N(C)CCNC)s1
InChIInChI=1S/C12H23N5OS/c1-5-17(6-2)12-15-10(13)9(19-12)11(18)16(4)8-7-14-3/h14H,5-8,13H2,1-4H3
InChIKeyLXQPCKIHXIORSK-UHFFFAOYSA-N
MW285.42 g/mol
LogP0.86
Rot. Bonds7

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

4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116666701) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116666701
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)N(C)CCNC)s1
InChIInChI=1S/C12H23N5OS/c1-5-17(6-2)12-15-10(13)9(19-12)11(18)16(4)8-7-14-3/h14H,5-8,13H2,1-4H3
InChIKeyLXQPCKIHXIORSK-UHFFFAOYSA-N
XLogP0.86
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116664138
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-N-cyclohexyl-2-(diethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116668367
4-amino-2-(diethylamino)-N-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663311
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-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 116670476
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 106918874
4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 116666701) is 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)N(C)CCNC)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LXQPCKIHXIORSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-5-17(6-2)12-15-10(13)9(19-12)11(18)16(4)8-7-14-3/h14H,5-8,13H2,1-4H3.
What are the key properties of 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 285.42 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).