N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H15N3S — CID 115681108

IUPACN-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H15N3S/c1-5-6-8(4)11-10-12-9(7(2)3)13-14-10/h1,7-8H,6H2,2-4H3,(H,11,12,13)
InChIKeyAOJPALIFQNECBE-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.49
Rot. Bonds4

About N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 115681108) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID115681108
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESC#CCC(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H15N3S/c1-5-6-8(4)11-10-12-9(7(2)3)13-14-10/h1,7-8H,6H2,2-4H3,(H,11,12,13)
InChIKeyAOJPALIFQNECBE-UHFFFAOYSA-N
XLogP2.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-fluoropropan-2-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 130731275
3-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854620
N-(4-methylsulfinylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115715135
N-(4-methylsulfonylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133386781
N-(2-methylpentan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277218
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79246881
N-octan-4-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106026374
3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681041
4-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 65276980
N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274118
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
methyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65271392

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 115681108) is N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is C#CCC(C)Nc1nc(C(C)C)ns1.
What is the InChIKey of N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is AOJPALIFQNECBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-5-6-8(4)11-10-12-9(7(2)3)13-14-10/h1,7-8H,6H2,2-4H3,(H,11,12,13).
What are the key properties of N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 209.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115681108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).