N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C9H9N5O2S2 — CID 30595320

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2ccnc(=O)[nH]2)s1
InChIInChI=1S/C9H9N5O2S2/c1-5-13-14-9(18-5)11-6(15)4-17-7-2-3-10-8(16)12-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,14,15)
InChIKeySSRFWBQMVVRDAY-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.66
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595320) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595320
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2ccnc(=O)[nH]2)s1
InChIInChI=1S/C9H9N5O2S2/c1-5-13-14-9(18-5)11-6(15)4-17-7-2-3-10-8(16)12-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,14,15)
InChIKeySSRFWBQMVVRDAY-UHFFFAOYSA-N
XLogP0.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595309
N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183853
N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 156880536
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(2-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183852
N-[(4-methylphenyl)methyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595384
N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595241
2-(3-acetamidophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18912290
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18894676
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
4-fluoro-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562088

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595320) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1nnc(NC(=O)CSc2ccnc(=O)[nH]2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is SSRFWBQMVVRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c1-5-13-14-9(18-5)11-6(15)4-17-7-2-3-10-8(16)12-7/h2-3H,4H2,1H3,(H,10,12,16)(H,11,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 283.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).