2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile

C16H11ClN4S2 — CID 168582330

IUPAC2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1Sc1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C16H11ClN4S2/c17-16-21-10-12(22-16)9-20-13-5-1-2-6-14(13)23-15-11(8-18)4-3-7-19-15/h1-7,10,20H,9H2
InChIKeyQZWOUUQTXARGNB-UHFFFAOYSA-N
MW358.88 g/mol
LogP4.83
Rot. Bonds5

About 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile

2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile (PubChem CID 168582330) has the molecular formula C16H11ClN4S2 and a molecular weight of 358.88 g/mol. Its IUPAC name is 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile
PubChem CID168582330
Molecular FormulaC16H11ClN4S2
Molecular Weight358.88 g/mol
Exact Mass358.01
IUPAC Name2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1Sc1ccccc1NCc1cnc(Cl)s1
InChIInChI=1S/C16H11ClN4S2/c17-16-21-10-12(22-16)9-20-13-5-1-2-6-14(13)23-15-11(8-18)4-3-7-19-15/h1-7,10,20H,9H2
InChIKeyQZWOUUQTXARGNB-UHFFFAOYSA-N
XLogP4.83
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylbenzonitrile
CID 168584120
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]aniline
CID 168579749
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-hydroxy-3-methylbenzonitrile
CID 168581115
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107123890
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline
CID 168581774
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-propan-2-ylsulfanylaniline
CID 168584225
2-(difluoromethylsulfanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868732
2-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580486
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile (CID 168582330) is 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile is N#Cc1cccnc1Sc1ccccc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile?
The InChIKey is QZWOUUQTXARGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4S2/c17-16-21-10-12(22-16)9-20-13-5-1-2-6-14(13)23-15-11(8-18)4-3-7-19-15/h1-7,10,20H,9H2.
What are the key properties of 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile?
2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile has a molecular weight of 358.88 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 168582330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).