6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

C11H13N3S2 — CID 115748774

IUPAC6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCCSc1ccc(NCc2cscn2)cn1
InChIInChI=1S/C11H13N3S2/c1-2-16-11-4-3-9(5-13-11)12-6-10-7-15-8-14-10/h3-5,7-8,12H,2,6H2,1H3
InChIKeyPNKBCYKMIULFCF-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.26
Rot. Bonds5

About 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 115748774) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID115748774
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCCSc1ccc(NCc2cscn2)cn1
InChIInChI=1S/C11H13N3S2/c1-2-16-11-4-3-9(5-13-11)12-6-10-7-15-8-14-10/h3-5,7-8,12H,2,6H2,1H3
InChIKeyPNKBCYKMIULFCF-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810952
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
CID 60696868
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
5-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 113436186
1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115749372
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzodioxol-5-amine
CID 61168858
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 115748774) is 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CCSc1ccc(NCc2cscn2)cn1.
What is the InChIKey of 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is PNKBCYKMIULFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-16-11-4-3-9(5-13-11)12-6-10-7-15-8-14-10/h3-5,7-8,12H,2,6H2,1H3.
What are the key properties of 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 115748774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).