N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C11H15N5S — CID 133433792

IUPACN-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)Cc2cnccn2)s1
InChIInChI=1S/C11H15N5S/c1-8(2)10-14-15-11(17-10)16(3)7-9-6-12-4-5-13-9/h4-6,8H,7H2,1-3H3
InChIKeyPICLWOTXMGTTPS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.09
Rot. Bonds4

About N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133433792) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133433792
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)Cc2cnccn2)s1
InChIInChI=1S/C11H15N5S/c1-8(2)10-14-15-11(17-10)16(3)7-9-6-12-4-5-13-9/h4-6,8H,7H2,1-3H3
InChIKeyPICLWOTXMGTTPS-UHFFFAOYSA-N
XLogP2.09
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 133433792) is N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(N(C)Cc2cnccn2)s1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PICLWOTXMGTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8(2)10-14-15-11(17-10)16(3)7-9-6-12-4-5-13-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-(pyrazin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133433792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).