N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride

C15H12Cl3N3S2 — CID 24764991

IUPACN-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(Nc2ncccc2Sc2c(Cl)cccc2Cl)n1.Cl
InChIInChI=1S/C15H11Cl2N3S2.ClH/c1-9-8-21-15(19-9)20-14-12(6-3-7-18-14)22-13-10(16)4-2-5-11(13)17;/h2-8H,1H3,(H,18,19,20);1H
InChIKeyFYWZDNBAPRSTFE-UHFFFAOYSA-N
MW404.78 g/mol
LogP6.47
Rot. Bonds4

About N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride

N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 24764991) has the molecular formula C15H12Cl3N3S2 and a molecular weight of 404.78 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID24764991
Molecular FormulaC15H12Cl3N3S2
Molecular Weight404.78 g/mol
Exact Mass402.95
IUPAC NameN-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1csc(Nc2ncccc2Sc2c(Cl)cccc2Cl)n1.Cl
InChIInChI=1S/C15H11Cl2N3S2.ClH/c1-9-8-21-15(19-9)20-14-12(6-3-7-18-14)22-13-10(16)4-2-5-11(13)17;/h2-8H,1H3,(H,18,19,20);1H
InChIKeyFYWZDNBAPRSTFE-UHFFFAOYSA-N
XLogP6.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-(2-chlorophenyl)sulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-ol
CID 24764519
4-(5-chloro-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 170674867
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]sulfanyl]phenol
CID 24826425
4-(4-chlorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 2215267
N-[[4-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618079
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 72702870
N-(3-methyl-2-pyridinyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 1092469
(E)-3-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2679319
N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
4-methyl-N-thiophen-2-yl-1,3-thiazol-2-amine
CID 54072851
N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87228881

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride (CID 24764991) is N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride is Cc1csc(Nc2ncccc2Sc2c(Cl)cccc2Cl)n1.Cl.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FYWZDNBAPRSTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S2.ClH/c1-9-8-21-15(19-9)20-14-12(6-3-7-18-14)22-13-10(16)4-2-5-11(13)17;/h2-8H,1H3,(H,18,19,20);1H.
What are the key properties of N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride?
N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 404.78 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)sulfanyl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 24764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).