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

C16H24N2OS — CID 114367687

IUPACN-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(c2nc(C3CC3)c(CNC3CC3)s2)CCCCO1
InChIInChI=1S/C16H24N2OS/c1-16(8-2-3-9-19-16)15-18-14(11-4-5-11)13(20-15)10-17-12-6-7-12/h11-12,17H,2-10H2,1H3
InChIKeyQYYKUKVHDQFRRH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.69
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367687) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367687
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(c2nc(C3CC3)c(CNC3CC3)s2)CCCCO1
InChIInChI=1S/C16H24N2OS/c1-16(8-2-3-9-19-16)15-18-14(11-4-5-11)13(20-15)10-17-12-6-7-12/h11-12,17H,2-10H2,1H3
InChIKeyQYYKUKVHDQFRRH-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367687) is N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1(c2nc(C3CC3)c(CNC3CC3)s2)CCCCO1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QYYKUKVHDQFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(8-2-3-9-19-16)15-18-14(11-4-5-11)13(20-15)10-17-12-6-7-12/h11-12,17H,2-10H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 292.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).