N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

C16H17F2N3OS2 — CID 126635055

IUPACN-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESC=C(C)C(F)(F)c1nc(-c2cccnc2)sc1NC(=O)CCSC
InChIInChI=1S/C16H17F2N3OS2/c1-10(2)16(17,18)13-15(20-12(22)6-8-23-3)24-14(21-13)11-5-4-7-19-9-11/h4-5,7,9H,1,6,8H2,2-3H3,(H,20,22)
InChIKeyCZEMMRPVXZJWTL-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.56
Rot. Bonds7

About N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (PubChem CID 126635055) has the molecular formula C16H17F2N3OS2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
PubChem CID126635055
Molecular FormulaC16H17F2N3OS2
Molecular Weight369.46 g/mol
Exact Mass369.08
IUPAC NameN-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESC=C(C)C(F)(F)c1nc(-c2cccnc2)sc1NC(=O)CCSC
InChIInChI=1S/C16H17F2N3OS2/c1-10(2)16(17,18)13-15(20-12(22)6-8-23-3)24-14(21-13)11-5-4-7-19-9-11/h4-5,7,9H,1,6,8H2,2-3H3,(H,20,22)
InChIKeyCZEMMRPVXZJWTL-UHFFFAOYSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266
N-[4-(iodomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 89447201
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-methylidenebutanamide
CID 89012334
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide
CID 121380152
4-methoxy-2-pyridin-3-yl-N-[1-(1,1,1-trifluoropropan-2-yloxy)ethenyl]-1,3-thiazol-5-amine
CID 118944669
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123930282

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (CID 126635055) is N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is C=C(C)C(F)(F)c1nc(-c2cccnc2)sc1NC(=O)CCSC.
What is the InChIKey of N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is CZEMMRPVXZJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS2/c1-10(2)16(17,18)13-15(20-12(22)6-8-23-3)24-14(21-13)11-5-4-7-19-9-11/h4-5,7,9H,1,6,8H2,2-3H3,(H,20,22).
What are the key properties of N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 369.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 126635055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).