N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H20N2S — CID 63078652

IUPACN-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(C2(c3ccccc3)CC2)sc1CNC1CC1
InChIInChI=1S/C17H20N2S/c1-12-15(11-18-14-7-8-14)20-16(19-12)17(9-10-17)13-5-3-2-4-6-13/h2-6,14,18H,7-11H2,1H3
InChIKeyKMLWRMJMXGTXOP-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.78
Rot. Bonds5

About N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63078652) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63078652
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1nc(C2(c3ccccc3)CC2)sc1CNC1CC1
InChIInChI=1S/C17H20N2S/c1-12-15(11-18-14-7-8-14)20-16(19-12)17(9-10-17)13-5-3-2-4-6-13/h2-6,14,18H,7-11H2,1H3
InChIKeyKMLWRMJMXGTXOP-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63078652) is N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1nc(C2(c3ccccc3)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is KMLWRMJMXGTXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-15(11-18-14-7-8-14)20-16(19-12)17(9-10-17)13-5-3-2-4-6-13/h2-6,14,18H,7-11H2,1H3.
What are the key properties of N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 284.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).