2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C16H6N6S6 — CID 86009639

IUPAC2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(-c2ncc(-c3nc4sc(-c5cnc(-c6nccs6)s5)nc4s3)s2)n1
InChIInChI=1S/C16H6N6S6/c1-3-23-11(17-1)13-19-5-7(25-13)9-21-15-16(27-9)22-10(28-15)8-6-20-14(26-8)12-18-2-4-24-12/h1-6H
InChIKeyQCTQAKCZRPXZJB-UHFFFAOYSA-N
MW474.67 g/mol
LogP6.25
Rot. Bonds4

About 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 86009639) has the molecular formula C16H6N6S6 and a molecular weight of 474.67 g/mol. Its IUPAC name is 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID86009639
Molecular FormulaC16H6N6S6
Molecular Weight474.67 g/mol
Exact Mass473.90
IUPAC Name2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1csc(-c2ncc(-c3nc4sc(-c5cnc(-c6nccs6)s5)nc4s3)s2)n1
InChIInChI=1S/C16H6N6S6/c1-3-23-11(17-1)13-19-5-7(25-13)9-21-15-16(27-9)22-10(28-15)8-6-20-14(26-8)12-18-2-4-24-12/h1-6H
InChIKeyQCTQAKCZRPXZJB-UHFFFAOYSA-N
XLogP6.25
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500474.67
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

4-heptyl-2-[2-[5-[4-heptyl-5-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-5-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 59297179
5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 46908129
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
6-(1,3-thiazol-2-yl)quinoxalin-2-amine
CID 119094972
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 170275089
5-(1-fluoro-2-methylpropyl)-4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 71288528
2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 20555356
2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 170521186
5-acetyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696108
2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
CID 139423358

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 86009639) is 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is c1csc(-c2ncc(-c3nc4sc(-c5cnc(-c6nccs6)s5)nc4s3)s2)n1.
What is the InChIKey of 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is QCTQAKCZRPXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6N6S6/c1-3-23-11(17-1)13-19-5-7(25-13)9-21-15-16(27-9)22-10(28-15)8-6-20-14(26-8)12-18-2-4-24-12/h1-6H.
What are the key properties of 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 474.67 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 86009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).