5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane

C16H17N7S — CID 145146553

IUPAC5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane
SMILESCC.Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C14H11N7S.C2H6/c15-9-3-4-16-12(6-9)13-20-21-14(22-13)18-10-1-2-11-8(5-10)7-17-19-11;1-2/h1-7H,(H2,15,16)(H,17,19)(H,18,21);1-2H3
InChIKeyTUXQSMMLRZGNEL-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.83
Rot. Bonds3

About 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane

5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane (PubChem CID 145146553) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane.

Molecular Properties

Compound Name5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane
PubChem CID145146553
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane
SMILESCC.Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C14H11N7S.C2H6/c15-9-3-4-16-12(6-9)13-20-21-14(22-13)18-10-1-2-11-8(5-10)7-17-19-11;1-2/h1-7H,(H2,15,16)(H,17,19)(H,18,21);1-2H3
InChIKeyTUXQSMMLRZGNEL-UHFFFAOYSA-N
XLogP3.83
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 122507570
N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
CID 148976599
N-(1H-indazol-5-yl)-5-(5-thiophen-2-yl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 122522773
6-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 137379434
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 122507386
2-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetic acid
CID 122522515
1-(1H-indazol-5-yl)-2-methylguanidine
CID 137381769
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637
4-N-(1H-indazol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366736
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
6-(3-aminophenyl)-N-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 57447602

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane?
The IUPAC name of 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane (CID 145146553) is 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane.
What is the SMILES notation for 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane?
The canonical SMILES for 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane is CC.Nc1ccnc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane?
The InChIKey is TUXQSMMLRZGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S.C2H6/c15-9-3-4-16-12(6-9)13-20-21-14(22-13)18-10-1-2-11-8(5-10)7-17-19-11;1-2/h1-7H,(H2,15,16)(H,17,19)(H,18,21);1-2H3.
What are the key properties of 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane?
5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane has a molecular weight of 339.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane is sourced from PubChem (CID 145146553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).