CID 167638671

C4H16N4S — CID 167638671

IUPAC—
SMILES[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[N-]=[N+]=NCc1cncs1
InChIInChI=1S/C4H4N4S.6H2/c5-8-7-2-4-1-6-3-9-4;;;;;;/h1,3H,2H2;6*1H/i;6*1+1D
InChIKeyOVUWXAUFSYWVJK-SRIVMHJUSA-N
MW164.34 g/mol
LogP3.43
Rot. Bonds2

About CID 167638671

CID 167638671 (PubChem CID 167638671) has the molecular formula C4H16N4S and a molecular weight of 164.34 g/mol.

Molecular Properties

Compound NameCID 167638671
PubChem CID167638671
Molecular FormulaC4H16N4S
Molecular Weight164.34 g/mol
Exact Mass164.18
IUPAC Name—
SMILES[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[N-]=[N+]=NCc1cncs1
InChIInChI=1S/C4H4N4S.6H2/c5-8-7-2-4-1-6-3-9-4;;;;;;/h1,3H,2H2;6*1H/i;6*1+1D
InChIKeyOVUWXAUFSYWVJK-SRIVMHJUSA-N
XLogP3.43
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-thiazol-5-yl)ethyl]guanidine
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5-(4-chlorobutyl)-1,3-thiazole
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N-(1,3-thiazol-5-ylmethyl)hydroxylamine
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CID 25242014
CID 25242014
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
N-(1,3-thiazol-5-ylmethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
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5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
CID 126697357
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
2-(1,3-thiazol-5-yl)ethanethioamide
CID 112640496
N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine
CID 143609838
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of CID 167638671?
The IUPAC name of CID 167638671 (CID 167638671) is not available.
What is the SMILES notation for CID 167638671?
The canonical SMILES for CID 167638671 is [2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[N-]=[N+]=NCc1cncs1.
What is the InChIKey of CID 167638671?
The InChIKey is OVUWXAUFSYWVJK-SRIVMHJUSA-N. The full InChI is InChI=1S/C4H4N4S.6H2/c5-8-7-2-4-1-6-3-9-4;;;;;;/h1,3H,2H2;6*1H/i;6*1+1D.
What are the key properties of CID 167638671?
CID 167638671 has a molecular weight of 164.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167638671 is sourced from PubChem (CID 167638671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).