N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

C14H20N4S — CID 77084707

IUPACN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCCCn1ccnc1CN(Cc1nccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyJITSOKHLFJXHDF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds7

About N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 77084707) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
PubChem CID77084707
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
SMILESCCCn1ccnc1CN(Cc1nccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
InChIKeyJITSOKHLFJXHDF-UHFFFAOYSA-N
XLogP2.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine (CID 77084707) is N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is CCCn1ccnc1CN(Cc1nccs1)C1CC1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is JITSOKHLFJXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3.
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine?
N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 276.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 77084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).