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

C14H18F2N2OS — CID 107153931

IUPACN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(OC(F)F)cc2)S1
InChIInChI=1S/C14H18F2N2OS/c1-9(2)7-12-8-17-14(20-12)18-10-3-5-11(6-4-10)19-13(15)16/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,18)
InChIKeyHWYAIKBHTFHEIF-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.22
Rot. Bonds5

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

N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153931) has the molecular formula C14H18F2N2OS and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153931
Molecular FormulaC14H18F2N2OS
Molecular Weight300.37 g/mol
Exact Mass300.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(OC(F)F)cc2)S1
InChIInChI=1S/C14H18F2N2OS/c1-9(2)7-12-8-17-14(20-12)18-10-3-5-11(6-4-10)19-13(15)16/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,18)
InChIKeyHWYAIKBHTFHEIF-UHFFFAOYSA-N
XLogP4.22
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154881
5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 55170640
2-[4-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]acetonitrile
CID 107154281
N-(6-bromonaphthalen-2-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154602
5-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154331
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153789
4-chloro-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]benzonitrile
CID 107154583
methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
CID 107154044
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153931) is N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2ccc(OC(F)F)cc2)S1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HWYAIKBHTFHEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS/c1-9(2)7-12-8-17-14(20-12)18-10-3-5-11(6-4-10)19-13(15)16/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.22, 5 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-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).