cyclopropyl(1,3-thiazol-2-yl)methanamine

C7H10N2S — CID 46785163

IUPACcyclopropyl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1nccs1)C1CC1
InChIInChI=1S/C7H10N2S/c8-6(5-1-2-5)7-9-3-4-10-7/h3-6H,1-2,8H2
InChIKeyVPWQNPNTMBITDU-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.55
Rot. Bonds2

About cyclopropyl(1,3-thiazol-2-yl)methanamine

cyclopropyl(1,3-thiazol-2-yl)methanamine (PubChem CID 46785163) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is cyclopropyl(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl(1,3-thiazol-2-yl)methanamine
PubChem CID46785163
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Namecyclopropyl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1nccs1)C1CC1
InChIInChI=1S/C7H10N2S/c8-6(5-1-2-5)7-9-3-4-10-7/h3-6H,1-2,8H2
InChIKeyVPWQNPNTMBITDU-UHFFFAOYSA-N
XLogP1.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,3-thiazol-2-yl)methanamine?
The IUPAC name of cyclopropyl(1,3-thiazol-2-yl)methanamine (CID 46785163) is cyclopropyl(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl(1,3-thiazol-2-yl)methanamine is NC(c1nccs1)C1CC1.
What is the InChIKey of cyclopropyl(1,3-thiazol-2-yl)methanamine?
The InChIKey is VPWQNPNTMBITDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-6(5-1-2-5)7-9-3-4-10-7/h3-6H,1-2,8H2.
What are the key properties of cyclopropyl(1,3-thiazol-2-yl)methanamine?
cyclopropyl(1,3-thiazol-2-yl)methanamine has a molecular weight of 154.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 46785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).