2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide

C10H15N3OS2 — CID 43117478

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1sc(N)nc1C
InChIInChI=1S/C10H15N3OS2/c1-4-5-12-8(14)7(3)15-9-6(2)13-10(11)16-9/h4,7H,1,5H2,2-3H3,(H2,11,13)(H,12,14)
InChIKeyUBQGMPVNCLORJC-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide (PubChem CID 43117478) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
PubChem CID43117478
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1sc(N)nc1C
InChIInChI=1S/C10H15N3OS2/c1-4-5-12-8(14)7(3)15-9-6(2)13-10(11)16-9/h4,7H,1,5H2,2-3H3,(H2,11,13)(H,12,14)
InChIKeyUBQGMPVNCLORJC-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 43117446
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43117451
ethyl 4-amino-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 78913166
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 9373231
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 78641334
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-prop-2-enylpropanamide
CID 18091488
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 63315278
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 18091281
4-methyl-5-pentan-2-ylsulfanyl-1,3-thiazol-2-amine
CID 107891696
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149156

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide (CID 43117478) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1sc(N)nc1C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is UBQGMPVNCLORJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-4-5-12-8(14)7(3)15-9-6(2)13-10(11)16-9/h4,7H,1,5H2,2-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 257.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 43117478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).