3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide

C11H11N3OS2 — CID 24692167

IUPAC3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2cnc(N)s2)c1
InChIInChI=1S/C11H11N3OS2/c12-10(15)8-3-1-2-7(4-8)6-16-9-5-14-11(13)17-9/h1-5H,6H2,(H2,12,15)(H2,13,14)
InChIKeyOTPBBKCUNUARKL-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide

3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 24692167) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
PubChem CID24692167
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2cnc(N)s2)c1
InChIInChI=1S/C11H11N3OS2/c12-10(15)8-3-1-2-7(4-8)6-16-9-5-14-11(13)17-9/h1-5H,6H2,(H2,12,15)(H2,13,14)
InChIKeyOTPBBKCUNUARKL-UHFFFAOYSA-N
XLogP2.12
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide
CID 43304597
3-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 47460861
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782689
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
CID 43249743
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
3-[[3-(pyridin-2-ylsulfanylmethyl)anilino]methyl]benzamide
CID 71913452
3-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 55631405
3-(sulfanylmethyl)benzamide
CID 118350806
3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 55631629
3-[(carbamoylamino)methyl]benzamide
CID 166184789

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide (CID 24692167) is 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide is NC(=O)c1cccc(CSc2cnc(N)s2)c1.
What is the InChIKey of 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is OTPBBKCUNUARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c12-10(15)8-3-1-2-7(4-8)6-16-9-5-14-11(13)17-9/h1-5H,6H2,(H2,12,15)(H2,13,14).
What are the key properties of 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide?
3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 265.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 24692167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).