N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C14H22F2N2S — CID 105178008

IUPACN-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2S/c1-2-7-18-13(8-12-9-17-10-19-12)11-3-5-14(15,16)6-4-11/h9-11,13,18H,2-8H2,1H3
InChIKeyPWPIGCQGLZAJCE-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105178008) has the molecular formula C14H22F2N2S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105178008
Molecular FormulaC14H22F2N2S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H22F2N2S/c1-2-7-18-13(8-12-9-17-10-19-12)11-3-5-14(15,16)6-4-11/h9-11,13,18H,2-8H2,1H3
InChIKeyPWPIGCQGLZAJCE-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105178008) is N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is PWPIGCQGLZAJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2S/c1-2-7-18-13(8-12-9-17-10-19-12)11-3-5-14(15,16)6-4-11/h9-11,13,18H,2-8H2,1H3.
What are the key properties of N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 288.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105178008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).