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

C10H10N4O2S2 — CID 30595309

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ccnc(=O)[nH]2)n1
InChIInChI=1S/C10H10N4O2S2/c1-6-4-18-10(12-6)13-7(15)5-17-8-2-3-11-9(16)14-8/h2-4H,5H2,1H3,(H,11,14,16)(H,12,13,15)
InChIKeyVLFHNTKCOAYIHM-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.27
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595309) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595309
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ccnc(=O)[nH]2)n1
InChIInChI=1S/C10H10N4O2S2/c1-6-4-18-10(12-6)13-7(15)5-17-8-2-3-11-9(16)14-8/h2-4H,5H2,1H3,(H,11,14,16)(H,12,13,15)
InChIKeyVLFHNTKCOAYIHM-UHFFFAOYSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595320
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
N-(4-tert-butylphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 156880536
N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183853
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3228873
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 6951970
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43303423
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26368475
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595309) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2ccnc(=O)[nH]2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is VLFHNTKCOAYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-6-4-18-10(12-6)13-7(15)5-17-8-2-3-11-9(16)14-8/h2-4H,5H2,1H3,(H,11,14,16)(H,12,13,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 282.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).