N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C7H10N2OS2 — CID 47263059

IUPACN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCc1csc(NC(C)=O)n1
InChIInChI=1S/C7H10N2OS2/c1-5(10)8-7-9-6(3-11-2)4-12-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyATBURDMPAHUGJJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.96
Rot. Bonds3

About N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 47263059) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID47263059
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCSCc1csc(NC(C)=O)n1
InChIInChI=1S/C7H10N2OS2/c1-5(10)8-7-9-6(3-11-2)4-12-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyATBURDMPAHUGJJ-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 66233966
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 16850033
N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 75456632
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
CID 16850053
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112777799
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 130734517

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 47263059) is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CSCc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ATBURDMPAHUGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-5(10)8-7-9-6(3-11-2)4-12-7/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 202.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47263059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).