4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide

C13H23N5O2S — CID 106280963

IUPAC4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCC(C)(C)C(N)=O)s1
InChIInChI=1S/C13H23N5O2S/c1-5-18(6-2)12-17-9(14)8(21-12)10(19)16-7-13(3,4)11(15)20/h5-7,14H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyINHLNLDDYKKAFX-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.81
Rot. Bonds7

About 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106280963) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
PubChem CID106280963
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NCC(C)(C)C(N)=O)s1
InChIInChI=1S/C13H23N5O2S/c1-5-18(6-2)12-17-9(14)8(21-12)10(19)16-7-13(3,4)11(15)20/h5-7,14H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyINHLNLDDYKKAFX-UHFFFAOYSA-N
XLogP0.81
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-N-(2,2-dimethylbutyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 103466928
4-amino-2-(diethylamino)-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
CID 116666618
4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 116671772
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952
4-amino-2-(diethylamino)-N-(3-methylsulfinylpropyl)-1,3-thiazole-5-carboxamide
CID 116672922
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891
4-amino-2-(diethylamino)-N-(1-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116672673
4-amino-2-(diethylamino)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide (CID 106280963) is 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NCC(C)(C)C(N)=O)s1.
What is the InChIKey of 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is INHLNLDDYKKAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-5-18(6-2)12-17-9(14)8(21-12)10(19)16-7-13(3,4)11(15)20/h5-7,14H2,1-4H3,(H2,15,20)(H,16,19).
What are the key properties of 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106280963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).