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

C8H8N2OS — CID 131203570

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1scnc1C
InChIInChI=1S/C8H8N2OS/c1-3-8(11)9-4-7-6(2)10-5-12-7/h1,5H,4H2,2H3,(H,9,11)
InChIKeyOFKQESHDCNSGBX-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.70
Rot. Bonds2

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide (PubChem CID 131203570) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
PubChem CID131203570
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1scnc1C
InChIInChI=1S/C8H8N2OS/c1-3-8(11)9-4-7-6(2)10-5-12-7/h1,5H,4H2,2H3,(H,9,11)
InChIKeyOFKQESHDCNSGBX-UHFFFAOYSA-N
XLogP0.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63284243
2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropanoic acid
CID 114898424
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 80592930
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]acetic acid
CID 63281019

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide (CID 131203570) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide is C#CC(=O)NCc1scnc1C.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide?
The InChIKey is OFKQESHDCNSGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-3-8(11)9-4-7-6(2)10-5-12-7/h1,5H,4H2,2H3,(H,9,11).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide has a molecular weight of 180.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide is sourced from PubChem (CID 131203570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).