1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine

C13H16N2S2 — CID 53273353

IUPAC1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccsc1-c1cnc(CNCC2CC2)s1
InChIInChI=1S/C13H16N2S2/c1-9-4-5-16-13(9)11-7-15-12(17-11)8-14-6-10-2-3-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyJZPFXMSZAVITJQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53273353) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53273353
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccsc1-c1cnc(CNCC2CC2)s1
InChIInChI=1S/C13H16N2S2/c1-9-4-5-16-13(9)11-7-15-12(17-11)8-14-6-10-2-3-10/h4-5,7,10,14H,2-3,6,8H2,1H3
InChIKeyJZPFXMSZAVITJQ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53273353) is 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is Cc1ccsc1-c1cnc(CNCC2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is JZPFXMSZAVITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-9-4-5-16-13(9)11-7-15-12(17-11)8-14-6-10-2-3-10/h4-5,7,10,14H,2-3,6,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53273353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).