5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine

C14H19ClN4S — CID 62885838

IUPAC5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2cc(C)nn2C)n1
InChIInChI=1S/C14H19ClN4S/c1-4-7-16-13-6-5-11(15)12(17-13)9-20-14-8-10(2)18-19(14)3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyGEKLPCPKSXUFIV-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.89
Rot. Bonds6

About 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine

5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 62885838) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID62885838
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2cc(C)nn2C)n1
InChIInChI=1S/C14H19ClN4S/c1-4-7-16-13-6-5-11(15)12(17-13)9-20-14-8-10(2)18-19(14)3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17)
InChIKeyGEKLPCPKSXUFIV-UHFFFAOYSA-N
XLogP3.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
4-chloro-N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]aniline
CID 55092551
5-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]thiadiazole
CID 62408977
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63486764
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
CID 64634986

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 62885838) is 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSc2cc(C)nn2C)n1.
What is the InChIKey of 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is GEKLPCPKSXUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-4-7-16-13-6-5-11(15)12(17-13)9-20-14-8-10(2)18-19(14)3/h5-6,8H,4,7,9H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62885838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).