N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine

C14H12N6S2 — CID 86660052

IUPACN-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine
SMILESCn1ccnc1Sc1ccc2[nH]nc(Nc3nccs3)c2c1
InChIInChI=1S/C14H12N6S2/c1-20-6-4-16-14(20)22-9-2-3-11-10(8-9)12(19-18-11)17-13-15-5-7-21-13/h2-8H,1H3,(H2,15,17,18,19)
InChIKeyCQJYGALFCXEDSO-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.65
Rot. Bonds4

About N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine

N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 86660052) has the molecular formula C14H12N6S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine
PubChem CID86660052
Molecular FormulaC14H12N6S2
Molecular Weight328.43 g/mol
Exact Mass328.06
IUPAC NameN-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine
SMILESCn1ccnc1Sc1ccc2[nH]nc(Nc3nccs3)c2c1
InChIInChI=1S/C14H12N6S2/c1-20-6-4-16-14(20)22-9-2-3-11-10(8-9)12(19-18-11)17-13-15-5-7-21-13/h2-8H,1H3,(H2,15,17,18,19)
InChIKeyCQJYGALFCXEDSO-UHFFFAOYSA-N
XLogP3.65
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-methylpyrazol-3-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420118
N-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 87420139
[3-(1,3-thiazol-2-ylamino)-1H-indazol-5-yl]methanol
CID 25052211
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
2-(1-methylimidazol-2-yl)sulfanyl-1,3-thiazole
CID 130701592
2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
CID 15077503
4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanyl-2-pyridinyl]-1,3-thiazol-2-amine
CID 24825879
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 25051864
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501
(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
CID 78951902
2-methyl-4-(1-methylimidazol-2-yl)sulfanylbenzonitrile
CID 81281637
3-chloro-6-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-benzothiophene-2-carboxamide
CID 55497249

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine (CID 86660052) is N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine is Cn1ccnc1Sc1ccc2[nH]nc(Nc3nccs3)c2c1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is CQJYGALFCXEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S2/c1-20-6-4-16-14(20)22-9-2-3-11-10(8-9)12(19-18-11)17-13-15-5-7-21-13/h2-8H,1H3,(H2,15,17,18,19).
What are the key properties of N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine?
N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 328.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)sulfanyl-1H-indazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86660052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).