2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide

C14H17N3OS2 — CID 43249826

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CSc1cnc(N)s1
InChIInChI=1S/C14H17N3OS2/c1-10(11-6-4-3-5-7-11)17(2)12(18)9-19-13-8-16-14(15)20-13/h3-8,10H,9H2,1-2H3,(H2,15,16)
InChIKeyPUHQJQNYIKPXTR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.04
Rot. Bonds5

About 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 43249826) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID43249826
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CSc1cnc(N)s1
InChIInChI=1S/C14H17N3OS2/c1-10(11-6-4-3-5-7-11)17(2)12(18)9-19-13-8-16-14(15)20-13/h3-8,10H,9H2,1-2H3,(H2,15,16)
InChIKeyPUHQJQNYIKPXTR-UHFFFAOYSA-N
XLogP3.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43250337
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 29171321
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
2-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238276
3-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238287
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 74315241
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9458841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide (CID 43249826) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CSc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is PUHQJQNYIKPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10(11-6-4-3-5-7-11)17(2)12(18)9-19-13-8-16-14(15)20-13/h3-8,10H,9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 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-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 43249826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).