N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H20F2N2O2S — CID 55686975

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O2S/c1-10(2)15-20-11(3)14(24-15)16(22)21(4)9-12-5-7-13(8-6-12)23-17(18)19/h5-8,10,17H,9H2,1-4H3
InChIKeyPGCUXPYGWBNSDY-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.45
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55686975) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55686975
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N2O2S/c1-10(2)15-20-11(3)14(24-15)16(22)21(4)9-12-5-7-13(8-6-12)23-17(18)19/h5-8,10,17H,9H2,1-4H3
InChIKeyPGCUXPYGWBNSDY-UHFFFAOYSA-N
XLogP4.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56750480
N,4-dimethyl-2-propan-2-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 50972753
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 24542052
N-[(4-bromophenyl)methyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 47096995
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
CID 94082091

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55686975) is N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PGCUXPYGWBNSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-10(2)15-20-11(3)14(24-15)16(22)21(4)9-12-5-7-13(8-6-12)23-17(18)19/h5-8,10,17H,9H2,1-4H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55686975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).