4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

C12H11N5S2 — CID 972473

IUPAC4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)9-6-18-12(17-9)16-8-3-2-4-14-5-8/h2-6H,1H3,(H2,13,15)(H,16,17)
InChIKeyTXTUDXNTPIORFT-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 972473) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID972473
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)9-6-18-12(17-9)16-8-3-2-4-14-5-8/h2-6H,1H3,(H2,13,15)(H,16,17)
InChIKeyTXTUDXNTPIORFT-UHFFFAOYSA-N
XLogP3.30
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Related Compounds

Stf-62247
CID 704473
4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
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
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 35
CID 6539300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 972473) is 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1csc(Nc2cccnc2)n1.
What is the InChIKey of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is TXTUDXNTPIORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)9-6-18-12(17-9)16-8-3-2-4-14-5-8/h2-6H,1H3,(H2,13,15)(H,16,17).
What are the key properties of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 972473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).