N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C14H21N5S — CID 167908042

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCCCn2nccc2C2CC2)s1
InChIInChI=1S/C14H21N5S/c1-10(2)13-17-18-14(20-13)15-7-3-9-19-12(6-8-16-19)11-4-5-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,18)
InChIKeyGAKWINNQBLLTAI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.24
Rot. Bonds7

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 167908042) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID167908042
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NCCCn2nccc2C2CC2)s1
InChIInChI=1S/C14H21N5S/c1-10(2)13-17-18-14(20-13)15-7-3-9-19-12(6-8-16-19)11-4-5-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,18)
InChIKeyGAKWINNQBLLTAI-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 167908042) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NCCCn2nccc2C2CC2)s1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is GAKWINNQBLLTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10(2)13-17-18-14(20-13)15-7-3-9-19-12(6-8-16-19)11-4-5-11/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 167908042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).