N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C7H13N3S — CID 65199417

IUPACN-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1snnc1C
InChIInChI=1S/C7H13N3S/c1-3-4-8-5-7-6(2)9-10-11-7/h8H,3-5H2,1-2H3
InChIKeyNUTNZQPKJOXMQT-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.35
Rot. Bonds4

About N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine

N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 65199417) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID65199417
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1snnc1C
InChIInChI=1S/C7H13N3S/c1-3-4-8-5-7-6(2)9-10-11-7/h8H,3-5H2,1-2H3
InChIKeyNUTNZQPKJOXMQT-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methyl-1,2,3-thiadiazol-5-yl)methanamine
CID 18327525
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
(4-Methyl-1,2,3-thiadiazol-5-yl)methanamine hydrochloride
CID 18327524
5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole
CID 18726753
N,N',4-trimethylthiadiazole-5-carboximidamide
CID 20530857
N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773016
N-[(4-methylthiadiazol-5-yl)methyl]formamide
CID 58773022
N'-[(4-methylthiadiazol-5-yl)methyl]ethane-1,2-diamine
CID 70458123
(5-Methylthiadiazol-4-yl)methanamine
CID 82593778

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 65199417) is N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine is CCCNCc1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is NUTNZQPKJOXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-4-8-5-7-6(2)9-10-11-7/h8H,3-5H2,1-2H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65199417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).