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

C10H16N4OS — CID 116674069

IUPAC4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C10H16N4OS/c1-3-5-12-9(15)7-8(11)14-10(16-7)13-6-4-2/h3H,1,4-6,11H2,2H3,(H,12,15)(H,13,14)
InChIKeyVXUFXFQNNBACKQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.46
Rot. Bonds6

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

4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116674069) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116674069
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(NCCC)nc1N
InChIInChI=1S/C10H16N4OS/c1-3-5-12-9(15)7-8(11)14-10(16-7)13-6-4-2/h3H,1,4-6,11H2,2H3,(H,12,15)(H,13,14)
InChIKeyVXUFXFQNNBACKQ-UHFFFAOYSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116674069) is 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(NCCC)nc1N.
What is the InChIKey of 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VXUFXFQNNBACKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-5-12-9(15)7-8(11)14-10(16-7)13-6-4-2/h3H,1,4-6,11H2,2H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116674069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).