4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

C7H6ClN5S2 — CID 47158888

IUPAC4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nnc(Sc2cc(Cl)nc(N)n2)s1
InChIInChI=1S/C7H6ClN5S2/c1-3-12-13-7(14-3)15-5-2-4(8)10-6(9)11-5/h2H,1H3,(H2,9,10,11)
InChIKeyCFNUHAXJKUZHEE-UHFFFAOYSA-N
MW259.75 g/mol
LogP2.02
Rot. Bonds2

About 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 47158888) has the molecular formula C7H6ClN5S2 and a molecular weight of 259.75 g/mol. Its IUPAC name is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID47158888
Molecular FormulaC7H6ClN5S2
Molecular Weight259.75 g/mol
Exact Mass258.98
IUPAC Name4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nnc(Sc2cc(Cl)nc(N)n2)s1
InChIInChI=1S/C7H6ClN5S2/c1-3-12-13-7(14-3)15-5-2-4(8)10-6(9)11-5/h2H,1H3,(H2,9,10,11)
InChIKeyCFNUHAXJKUZHEE-UHFFFAOYSA-N
XLogP2.02
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 112726054
[2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80922686
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115555574
N,2-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886273
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
2-(6-chloro-3-methylquinoxalin-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 22341086
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
2-[(2-chloro-4-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 63778675
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
CID 47159001
2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 61229579

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 47158888) is 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1nnc(Sc2cc(Cl)nc(N)n2)s1.
What is the InChIKey of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is CFNUHAXJKUZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S2/c1-3-12-13-7(14-3)15-5-2-4(8)10-6(9)11-5/h2H,1H3,(H2,9,10,11).
What are the key properties of 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 259.75 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 47158888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).