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

C9H13N3OS2 — CID 43117446

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1cnc(N)s1
InChIInChI=1S/C9H13N3OS2/c1-3-4-11-8(13)6(2)14-7-5-12-9(10)15-7/h3,5-6H,1,4H2,2H3,(H2,10,12)(H,11,13)
InChIKeyYUFMEXMQQAAOJX-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.51
Rot. Bonds5

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

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide (PubChem CID 43117446) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
PubChem CID43117446
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1cnc(N)s1
InChIInChI=1S/C9H13N3OS2/c1-3-4-11-8(13)6(2)14-7-5-12-9(10)15-7/h3,5-6H,1,4H2,2H3,(H2,10,12)(H,11,13)
InChIKeyYUFMEXMQQAAOJX-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.51
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-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 43117478
ethyl 4-amino-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 78913166
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylthiophene-2-carboxylic acid
CID 79149156
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-2-carboxylic acid
CID 79554308
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 47119531
(2R)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 9308721
(2S)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 9308719
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 63315278
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 9373231
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 18091281
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide (CID 43117446) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
The InChIKey is YUFMEXMQQAAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-3-4-11-8(13)6(2)14-7-5-12-9(10)15-7/h3,5-6H,1,4H2,2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide has a molecular weight of 243.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 43117446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).