N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide

C6H11N5S — CID 65214947

IUPACN-amino-N'-propan-2-ylthiadiazole-5-carboximidamide
SMILESCC(C)/N=C(/NN)c1cnns1
InChIInChI=1S/C6H11N5S/c1-4(2)9-6(10-7)5-3-8-11-12-5/h3-4H,7H2,1-2H3,(H,9,10)
InChIKeyYMJHKKPSQNCFCN-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.16
Rot. Bonds2

About N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide

N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide (PubChem CID 65214947) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propan-2-ylthiadiazole-5-carboximidamide
PubChem CID65214947
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC NameN-amino-N'-propan-2-ylthiadiazole-5-carboximidamide
SMILESCC(C)/N=C(/NN)c1cnns1
InChIInChI=1S/C6H11N5S/c1-4(2)9-6(10-7)5-3-8-11-12-5/h3-4H,7H2,1-2H3,(H,9,10)
InChIKeyYMJHKKPSQNCFCN-UHFFFAOYSA-N
XLogP0.16
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-methylthiadiazole-5-carboximidamide
CID 65214944
N-amino-N'-ethylthiadiazole-5-carboximidamide
CID 65214945
N-amino-N'-propylthiadiazole-5-carboximidamide
CID 65214946
N-amino-N'-cyclopropylthiadiazole-5-carboximidamide
CID 65215001
N-amino-N'-tert-butylthiadiazole-5-carboximidamide
CID 65215002
N-amino-N'-cyclopentylthiadiazole-5-carboximidamide
CID 65215003
N-amino-N'-cyclohexylthiadiazole-5-carboximidamide
CID 65215004
N-amino-N'-cycloheptylthiadiazole-5-carboximidamide
CID 65215057
N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
CID 65215060
N'-aminothiadiazole-5-carboximidamide
CID 77060408
2-methyl-5-(thiadiazol-5-yl)-1H-1,2,4-triazole-3-thione
CID 104602125
1-Amino-2-(thiadiazol-5-ylmethyl)guanidine
CID 130917248

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide (CID 65214947) is N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide is CC(C)/N=C(/NN)c1cnns1.
What is the InChIKey of N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide?
The InChIKey is YMJHKKPSQNCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-4(2)9-6(10-7)5-3-8-11-12-5/h3-4H,7H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide?
N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide has a molecular weight of 185.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65214947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).