1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea

C14H10Cl2N4S — CID 2396755

IUPAC1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea
SMILESS=C(Nc1ccc2cn[nH]c2c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-9-2-4-12(11(16)5-9)19-14(21)18-10-3-1-8-7-17-20-13(8)6-10/h1-7H,(H,17,20)(H2,18,19,21)
InChIKeyDRORPJHUSREEOR-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.68
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea

1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea (PubChem CID 2396755) has the molecular formula C14H10Cl2N4S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea
PubChem CID2396755
Molecular FormulaC14H10Cl2N4S
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea
SMILESS=C(Nc1ccc2cn[nH]c2c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-9-2-4-12(11(16)5-9)19-14(21)18-10-3-1-8-7-17-20-13(8)6-10/h1-7H,(H,17,20)(H2,18,19,21)
InChIKeyDRORPJHUSREEOR-UHFFFAOYSA-N
XLogP4.68
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Di(1H-indazol-6-yl)thiourea
CID 3003797
N-(1H-indazol-6-yl)thiourea
CID 2764168
1-(1H-indazol-6-yl)-3-prop-2-enylthiourea
CID 2396742
1-(1H-indazol-6-yl)-3-phenylthiourea
CID 2396745
N-allyl-N'-(1H-indazol-4-yl)thiourea
CID 2768371
1-(1H-indazol-6-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 4536543
1-(4-chlorophenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396811
N-(1H-indazol-4-yl)thiourea
CID 3751694
1-(3-chlorophenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396743
1-(2-chlorophenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396750
1-butyl-3-(1H-indazol-6-yl)thiourea
CID 2396753
1-(1H-indazol-6-yl)-3-(4-methylphenyl)thiourea
CID 2396757

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea (CID 2396755) is 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea is S=C(Nc1ccc2cn[nH]c2c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea?
The InChIKey is DRORPJHUSREEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4S/c15-9-2-4-12(11(16)5-9)19-14(21)18-10-3-1-8-7-17-20-13(8)6-10/h1-7H,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea?
1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea has a molecular weight of 337.24 g/mol, XLogP of 4.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1H-indazol-6-yl)thiourea is sourced from PubChem (CID 2396755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).