N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H26N2OS — CID 114168429

IUPACN-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCC(OC)C2)S1
InChIInChI=1S/C14H26N2OS/c1-4-10(5-2)13-9-15-14(18-13)16-11-6-7-12(8-11)17-3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyVFYQWPDQHQPBTQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds5

About N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168429) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168429
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCC(OC)C2)S1
InChIInChI=1S/C14H26N2OS/c1-4-10(5-2)13-9-15-14(18-13)16-11-6-7-12(8-11)17-3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyVFYQWPDQHQPBTQ-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114168429) is N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CCC(OC)C2)S1.
What is the InChIKey of N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VFYQWPDQHQPBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-10(5-2)13-9-15-14(18-13)16-11-6-7-12(8-11)17-3/h10-13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).