4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine

C10H15N3S — CID 130899017

IUPAC4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
SMILESCC(C)(C)C#CCNCc1csnn1
InChIInChI=1S/C10H15N3S/c1-10(2,3)5-4-6-11-7-9-8-14-13-12-9/h8,11H,6-7H2,1-3H3
InChIKeyUDGZJJCKYLRTTB-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.68
Rot. Bonds3

About 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine

4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine (PubChem CID 130899017) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
PubChem CID130899017
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
SMILESCC(C)(C)C#CCNCc1csnn1
InChIInChI=1S/C10H15N3S/c1-10(2,3)5-4-6-11-7-9-8-14-13-12-9/h8,11H,6-7H2,1-3H3
InChIKeyUDGZJJCKYLRTTB-UHFFFAOYSA-N
XLogP1.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine?
The IUPAC name of 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine (CID 130899017) is 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine is CC(C)(C)C#CCNCc1csnn1.
What is the InChIKey of 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine?
The InChIKey is UDGZJJCKYLRTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2,3)5-4-6-11-7-9-8-14-13-12-9/h8,11H,6-7H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine?
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine is sourced from PubChem (CID 130899017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).