N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine

C11H13N5S — CID 114080509

IUPACN-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nccnc1-c1nnsc1CNC1CC1
InChIInChI=1S/C11H13N5S/c1-7-10(13-5-4-12-7)11-9(17-16-15-11)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyIBMSJDJFUBRQLR-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.56
Rot. Bonds4

About N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine

N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114080509) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine
PubChem CID114080509
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC NameN-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nccnc1-c1nnsc1CNC1CC1
InChIInChI=1S/C11H13N5S/c1-7-10(13-5-4-12-7)11-9(17-16-15-11)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyIBMSJDJFUBRQLR-UHFFFAOYSA-N
XLogP1.56
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine (CID 114080509) is N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine is Cc1nccnc1-c1nnsc1CNC1CC1.
What is the InChIKey of N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is IBMSJDJFUBRQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-7-10(13-5-4-12-7)11-9(17-16-15-11)6-14-8-2-3-8/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine?
N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 247.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114080509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).