[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea

C13H10ClN5S — CID 86660015

IUPAC[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
SMILESNC(=S)Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12
InChIInChI=1S/C13H10ClN5S/c14-9-2-1-5-16-11(9)7-3-4-10-8(6-7)12(19-18-10)17-13(15)20/h1-6H,(H4,15,17,18,19,20)
InChIKeyYJZIDWAOFLNIIZ-UHFFFAOYSA-N
MW303.78 g/mol
LogP2.93
Rot. Bonds2

About [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea

[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea (PubChem CID 86660015) has the molecular formula C13H10ClN5S and a molecular weight of 303.78 g/mol. Its IUPAC name is [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea.

Molecular Properties

Compound Name[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
PubChem CID86660015
Molecular FormulaC13H10ClN5S
Molecular Weight303.78 g/mol
Exact Mass303.03
IUPAC Name[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea
SMILESNC(=S)Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12
InChIInChI=1S/C13H10ClN5S/c14-9-2-1-5-16-11(9)7-3-4-10-8(6-7)12(19-18-10)17-13(15)20/h1-6H,(H4,15,17,18,19,20)
InChIKeyYJZIDWAOFLNIIZ-UHFFFAOYSA-N
XLogP2.93
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[5-(4-chloro-3-pyridinyl)-1H-indazol-3-yl]thiourea
CID 87418767
N-[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]-5-[(dimethylamino)methyl]-1,3-thiazol-2-amine
CID 86660043
5-(3-amino-2-pyridinyl)-N-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-1H-indazol-3-amine
CID 67490004
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87420077
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea?
The IUPAC name of [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea (CID 86660015) is [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea.
What is the SMILES notation for [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea?
The canonical SMILES for [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea is NC(=S)Nc1n[nH]c2ccc(-c3ncccc3Cl)cc12.
What is the InChIKey of [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea?
The InChIKey is YJZIDWAOFLNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5S/c14-9-2-1-5-16-11(9)7-3-4-10-8(6-7)12(19-18-10)17-13(15)20/h1-6H,(H4,15,17,18,19,20).
What are the key properties of [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea?
[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea has a molecular weight of 303.78 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]thiourea is sourced from PubChem (CID 86660015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).