N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine

C6H12N4S — CID 70458123

IUPACN'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nnsc1CNCCN
InChIInChI=1S/C6H12N4S/c1-5-6(11-10-9-5)4-8-3-2-7/h8H,2-4,7H2,1H3
InChIKeyFKHZCXVTZZUGOW-UHFFFAOYSA-N
MW172.26 g/mol
LogP-0.11
Rot. Bonds4

About N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine

N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 70458123) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID70458123
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nnsc1CNCCN
InChIInChI=1S/C6H12N4S/c1-5-6(11-10-9-5)4-8-3-2-7/h8H,2-4,7H2,1H3
InChIKeyFKHZCXVTZZUGOW-UHFFFAOYSA-N
XLogP-0.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carbothioamide
CID 135153448
2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 65199618
2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 115407090
N-ethyl-N,N'-dimethyl-N'-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]propane-1,3-diamine
CID 118776621
5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole
CID 18726753
1-[2-[[4-[[2-[Carbamothioyl(methyl)amino]ethylamino]methyl]thiadiazol-5-yl]methylamino]ethyl]-1-methylthiourea
CID 54024978
1-Methyl-3-[2-[[4-[[2-(methylcarbamothioylamino)ethylamino]methyl]thiadiazol-5-yl]methylamino]ethyl]thiourea
CID 88760621
N-methyl-1-(4-methyl-1,2,3-thiadiazol-5-yl)methanamine
CID 25220776
N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 65199416
N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 65199417
N-[(4-methylthiadiazol-5-yl)methyl]propan-2-amine
CID 65199418
N-[(4-methylthiadiazol-5-yl)methyl]cyclopropanamine
CID 65199467

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine (CID 70458123) is N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine is Cc1nnsc1CNCCN.
What is the InChIKey of N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is FKHZCXVTZZUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-5-6(11-10-9-5)4-8-3-2-7/h8H,2-4,7H2,1H3.
What are the key properties of N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 172.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).