2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide

C10H12N6S2 — CID 107551897

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2nc(CC)ns2)n1
InChIInChI=1S/C10H12N6S2/c1-3-7-15-10(18-16-7)17-9-13-5(2)4-6(14-9)8(11)12/h4H,3H2,1-2H3,(H3,11,12)
InChIKeyHFRMYCWSSPVCNJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.63
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551897) has the molecular formula C10H12N6S2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
PubChem CID107551897
Molecular FormulaC10H12N6S2
Molecular Weight280.38 g/mol
Exact Mass280.06
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2nc(CC)ns2)n1
InChIInChI=1S/C10H12N6S2/c1-3-7-15-10(18-16-7)17-9-13-5(2)4-6(14-9)8(11)12/h4H,3H2,1-2H3,(H3,11,12)
InChIKeyHFRMYCWSSPVCNJ-UHFFFAOYSA-N
XLogP1.63
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine
CID 56693069
Bis[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methanethione
CID 59915551
5-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 71977955
6-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbonitrile
CID 107545313
6-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide
CID 107546460
2-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546890
6-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide
CID 107548119
6-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551500
6-Methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidine-4-carboximidamide
CID 107551769
2-Butan-2-ylsulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551775
2-Ethylsulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551777
2-Tert-butylsulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551779

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide (CID 107551897) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2nc(CC)ns2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is HFRMYCWSSPVCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S2/c1-3-7-15-10(18-16-7)17-9-13-5(2)4-6(14-9)8(11)12/h4H,3H2,1-2H3,(H3,11,12).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 280.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).