1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine

C8H12N2S — CID 115732524

IUPAC1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
SMILESCC1(NCc2cncs2)CC1
InChIInChI=1S/C8H12N2S/c1-8(2-3-8)10-5-7-4-9-6-11-7/h4,6,10H,2-3,5H2,1H3
InChIKeyOFSBCXLOPRTRCS-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine

1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine (PubChem CID 115732524) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
PubChem CID115732524
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
SMILESCC1(NCc2cncs2)CC1
InChIInChI=1S/C8H12N2S/c1-8(2-3-8)10-5-7-4-9-6-11-7/h4,6,10H,2-3,5H2,1H3
InChIKeyOFSBCXLOPRTRCS-UHFFFAOYSA-N
XLogP1.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine (CID 115732524) is 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine is CC1(NCc2cncs2)CC1.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
The InChIKey is OFSBCXLOPRTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-8(2-3-8)10-5-7-4-9-6-11-7/h4,6,10H,2-3,5H2,1H3.
What are the key properties of 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine?
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine has a molecular weight of 168.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 115732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).