4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C12H20N4OS — CID 116672061

IUPAC4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(C)C(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C12H20N4OS/c1-5-8-15(4)11(17)9-10(13)14-12(18-9)16(6-2)7-3/h5H,1,6-8,13H2,2-4H3
InChIKeyOYUNRXSPPXRZFJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 116672061) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID116672061
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(C)C(=O)c1sc(N(CC)CC)nc1N
InChIInChI=1S/C12H20N4OS/c1-5-8-15(4)11(17)9-10(13)14-12(18-9)16(6-2)7-3/h5H,1,6-8,13H2,2-4H3
InChIKeyOYUNRXSPPXRZFJ-UHFFFAOYSA-N
XLogP1.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-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-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 116673980
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672125
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-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-2-(3-aminopyrrolidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672055
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672068

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 116672061) is 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCN(C)C(=O)c1sc(N(CC)CC)nc1N.
What is the InChIKey of 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is OYUNRXSPPXRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-8-15(4)11(17)9-10(13)14-12(18-9)16(6-2)7-3/h5H,1,6-8,13H2,2-4H3.
What are the key properties of 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).