N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H20F2N2OS — CID 106284917

IUPACN-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(OC(F)F)cc2)S1
InChIInChI=1S/C15H20F2N2OS/c1-3-10(4-2)13-9-18-15(21-13)19-11-5-7-12(8-6-11)20-14(16)17/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyIDMONHISIBIKQM-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.61
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284917) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284917
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(OC(F)F)cc2)S1
InChIInChI=1S/C15H20F2N2OS/c1-3-10(4-2)13-9-18-15(21-13)19-11-5-7-12(8-6-11)20-14(16)17/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyIDMONHISIBIKQM-UHFFFAOYSA-N
XLogP4.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284701
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153931
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 55170640
N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284803
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285842
6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
CID 80753539
5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285741
N-butyl-4-(difluoromethoxy)aniline
CID 28623906

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284917) is N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2ccc(OC(F)F)cc2)S1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IDMONHISIBIKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-3-10(4-2)13-9-18-15(21-13)19-11-5-7-12(8-6-11)20-14(16)17/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 314.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).