N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H9N3S2 — CID 693841

IUPACN-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1cncc(Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H9N3S2/c1-3-9(7-13-5-1)14-12-15-10(8-17-12)11-4-2-6-16-11/h1-8H,(H,14,15)
InChIKeyIQYQAXDKOUKTST-UHFFFAOYSA-N
MW259.36 g/mol
LogP4.01
Rot. Bonds3

About N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine

N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 693841) has the molecular formula C12H9N3S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID693841
Molecular FormulaC12H9N3S2
Molecular Weight259.36 g/mol
Exact Mass259.02
IUPAC NameN-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1cncc(Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H9N3S2/c1-3-9(7-13-5-1)14-12-15-10(8-17-12)11-4-2-6-16-11/h1-8H,(H,14,15)
InChIKeyIQYQAXDKOUKTST-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-62247
CID 704473
4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
1,3-Benzothiazol-2-amine, 6-fluoro-N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 7086352
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
Aminothiazole 7
CID 5329389
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
N-(5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridin-3-amine
CID 10308455
2-Chloro-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 44449565

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 693841) is N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine is c1cncc(Nc2nc(-c3cccs3)cs2)c1.
What is the InChIKey of N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is IQYQAXDKOUKTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S2/c1-3-9(7-13-5-1)14-12-15-10(8-17-12)11-4-2-6-16-11/h1-8H,(H,14,15).
What are the key properties of N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 693841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).