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

C13H23N5O2S — CID 116664138

IUPAC4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H23N5O2S/c1-5-15-9(19)8-17(4)12(20)10-11(14)16-13(21-10)18(6-2)7-3/h5-8,14H2,1-4H3,(H,15,19)
InChIKeyBFQFBFSSBSJWBO-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.78
Rot. Bonds7

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

4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116664138) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116664138
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C13H23N5O2S/c1-5-15-9(19)8-17(4)12(20)10-11(14)16-13(21-10)18(6-2)7-3/h5-8,14H2,1-4H3,(H,15,19)
InChIKeyBFQFBFSSBSJWBO-UHFFFAOYSA-N
XLogP0.78
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116666701
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664168
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116664409
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-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 106280963

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 116664138) is 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)CN(C)C(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BFQFBFSSBSJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-5-15-9(19)8-17(4)12(20)10-11(14)16-13(21-10)18(6-2)7-3/h5-8,14H2,1-4H3,(H,15,19).
What are the key properties of 4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.78, 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-[2-(ethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).