4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

C13H18N4S2 — CID 102925840

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cc(C)cc(C)n1
InChIInChI=1S/C13H18N4S2/c1-4-5-14-13-11(16-17-19-13)8-18-12-7-9(2)6-10(3)15-12/h6-7,14H,4-5,8H2,1-3H3
InChIKeyXNSLEPOVNLQAPY-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.66
Rot. Bonds6

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (PubChem CID 102925840) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
PubChem CID102925840
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1cc(C)cc(C)n1
InChIInChI=1S/C13H18N4S2/c1-4-5-14-13-11(16-17-19-13)8-18-12-7-9(2)6-10(3)15-12/h6-7,14H,4-5,8H2,1-3H3
InChIKeyXNSLEPOVNLQAPY-UHFFFAOYSA-N
XLogP3.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62188064
4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188803
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
CID 102925512
N-ethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 62189635
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 55044667
3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 102924527
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188403
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 62188904
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (CID 102925840) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CSc1cc(C)cc(C)n1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The InChIKey is XNSLEPOVNLQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-4-5-14-13-11(16-17-19-13)8-18-12-7-9(2)6-10(3)15-12/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine has a molecular weight of 294.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 102925840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).