N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

C7H8N2OS — CID 43616254

IUPACN-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H8N2OS/c1-3-6(10)9-7-8-4-5(2)11-7/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyBSHIMOZNUNGBRN-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.58
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide

N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 43616254) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID43616254
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H8N2OS/c1-3-6(10)9-7-8-4-5(2)11-7/h3-4H,1H2,2H3,(H,8,9,10)
InChIKeyBSHIMOZNUNGBRN-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.58
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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Related Compounds

O-ethyl [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylmethanethioate
CID 1796567
2-Acetamido-5-methylthiazole
CID 298507
2-Chloro-N-(5-methyl-thiazol-2-yl)-acetamide
CID 846121
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
N-(5-Formylthiazol-2-yl)acetamide
CID 11829864
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
N-(5-cyanothiazol-2-yl)acetamide
CID 20544504
2-Acrylamidothiazole
CID 543201
2-(Ethylamino)-1,3-thiazole-5-carbaldehyde
CID 82416119
2-Methyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 20136573
2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 58878121
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 43616254) is N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is BSHIMOZNUNGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-3-6(10)9-7-8-4-5(2)11-7/h3-4H,1H2,2H3,(H,8,9,10).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide?
N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 43616254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).