N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide

C9H10N2OS — CID 61482354

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H10N2OS/c1-2-8(12)11-9-10-7(5-13-9)6-3-4-6/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyFHIXXCKJNOYFBT-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.14
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 61482354) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID61482354
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H10N2OS/c1-2-8(12)11-9-10-7(5-13-9)6-3-4-6/h2,5-6H,1,3-4H2,(H,10,11,12)
InChIKeyFHIXXCKJNOYFBT-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide (CID 61482354) is N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is FHIXXCKJNOYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-8(12)11-9-10-7(5-13-9)6-3-4-6/h2,5-6H,1,3-4H2,(H,10,11,12).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 194.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 61482354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).