4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C13H22N4OS — CID 116672125

IUPAC4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(C(=O)c1sc(N(C)CC)nc1N)C(C)C
InChIInChI=1S/C13H22N4OS/c1-6-8-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)7-2/h6,9H,1,7-8,14H2,2-5H3
InChIKeyGNQCBZPJHXDBLB-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.22
Rot. Bonds6

About 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 116672125) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID116672125
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCN(C(=O)c1sc(N(C)CC)nc1N)C(C)C
InChIInChI=1S/C13H22N4OS/c1-6-8-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)7-2/h6,9H,1,7-8,14H2,2-5H3
InChIKeyGNQCBZPJHXDBLB-UHFFFAOYSA-N
XLogP2.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.22
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-[ethyl(methyl)amino]-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669530
4-amino-N-butan-2-yl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116669640
4-amino-N-propan-2-yl-2-(propan-2-ylamino)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672134
4-amino-2-(diethylamino)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672061
4-amino-N-(3-hydroxypropyl)-2-[methyl(propyl)amino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664295
4-amino-2-[ethyl(methyl)amino]-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 114265110
4-amino-2-(dimethylamino)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 116664385
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-[ethyl(methyl)amino]-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 106918874
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
4-amino-N-cyclohexyl-N-ethyl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668423
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 116672125) is 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCN(C(=O)c1sc(N(C)CC)nc1N)C(C)C.
What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is GNQCBZPJHXDBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-6-8-17(9(3)4)12(18)10-11(14)15-13(19-10)16(5)7-2/h6,9H,1,7-8,14H2,2-5H3.
What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(methyl)amino]-N-propan-2-yl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).