1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile

C8H10N4S — CID 164658078

IUPAC1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile
SMILESCN(Cc1csnn1)C1(C#N)CC1
InChIInChI=1S/C8H10N4S/c1-12(8(6-9)2-3-8)4-7-5-13-11-10-7/h5H,2-4H2,1H3
InChIKeyCNVWTLYJCRKBKI-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.03
Rot. Bonds3

About 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile

1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile (PubChem CID 164658078) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile
PubChem CID164658078
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile
SMILESCN(Cc1csnn1)C1(C#N)CC1
InChIInChI=1S/C8H10N4S/c1-12(8(6-9)2-3-8)4-7-5-13-11-10-7/h5H,2-4H2,1H3
InChIKeyCNVWTLYJCRKBKI-UHFFFAOYSA-N
XLogP1.03
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile (CID 164658078) is 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile is CN(Cc1csnn1)C1(C#N)CC1.
What is the InChIKey of 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile?
The InChIKey is CNVWTLYJCRKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12(8(6-9)2-3-8)4-7-5-13-11-10-7/h5H,2-4H2,1H3.
What are the key properties of 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile?
1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiadiazol-4-ylmethyl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164658078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).