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

C14H22N2OS — CID 114367731

IUPACN-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC(C)Cc1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9(17-2)7-13-16-14(10-3-4-10)12(18-13)8-15-11-5-6-11/h9-11,15H,3-8H2,1-2H3
InChIKeyWKFKSVDBQTUZQQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.85
Rot. Bonds7

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

N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367731) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367731
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOC(C)Cc1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C14H22N2OS/c1-9(17-2)7-13-16-14(10-3-4-10)12(18-13)8-15-11-5-6-11/h9-11,15H,3-8H2,1-2H3
InChIKeyWKFKSVDBQTUZQQ-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82436940
N-[[4-cyclopropyl-2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367791
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 63915986
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367731) is N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COC(C)Cc1nc(C2CC2)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is WKFKSVDBQTUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(17-2)7-13-16-14(10-3-4-10)12(18-13)8-15-11-5-6-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 266.41 g/mol, XLogP of 2.85, 7 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-methoxypropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).