5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine

C11H17F2N3S — CID 174276324

IUPAC5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESNCc1cnc(NCC2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H17F2N3S/c12-11(13)3-1-8(2-4-11)6-15-10-16-7-9(5-14)17-10/h7-8H,1-6,14H2,(H,15,16)
InChIKeyHSFKJNUCMKPWQT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.84
Rot. Bonds4

About 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine (PubChem CID 174276324) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine
PubChem CID174276324
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESNCc1cnc(NCC2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H17F2N3S/c12-11(13)3-1-8(2-4-11)6-15-10-16-7-9(5-14)17-10/h7-8H,1-6,14H2,(H,15,16)
InChIKeyHSFKJNUCMKPWQT-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine (CID 174276324) is 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine is NCc1cnc(NCC2CCC(F)(F)CC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HSFKJNUCMKPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c12-11(13)3-1-8(2-4-11)6-15-10-16-7-9(5-14)17-10/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(4,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174276324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).