N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

C9H13N5S2 — CID 62188641

IUPACN-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C9H13N5S2/c1-3-10-9-8(12-13-16-9)6-15-7-4-11-14(2)5-7/h4-5,10H,3,6H2,1-2H3
InChIKeyVPUHRYCUEVIHTA-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine

N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (PubChem CID 62188641) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
PubChem CID62188641
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC NameN-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine
SMILESCCNc1snnc1CSc1cnn(C)c1
InChIInChI=1S/C9H13N5S2/c1-3-10-9-8(12-13-16-9)6-15-7-4-11-14(2)5-7/h4-5,10H,3,6H2,1-2H3
InChIKeyVPUHRYCUEVIHTA-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine (CID 62188641) is N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is CCNc1snnc1CSc1cnn(C)c1.
What is the InChIKey of N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
The InChIKey is VPUHRYCUEVIHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-3-10-9-8(12-13-16-9)6-15-7-4-11-14(2)5-7/h4-5,10H,3,6H2,1-2H3.
What are the key properties of N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine?
N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiadiazol-5-amine is sourced from PubChem (CID 62188641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).