N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

C20H20ClFN4OS — CID 166797957

IUPACN-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESC=C1C=C(c2nc(C)cs2)N=C(c2c(Cl)ccc(CNC(=O)C(C)C)c2F)N1
InChIInChI=1S/C20H20ClFN4OS/c1-10(2)19(27)23-8-13-5-6-14(21)16(17(13)22)18-24-11(3)7-15(26-18)20-25-12(4)9-28-20/h5-7,9-10H,3,8H2,1-2,4H3,(H,23,27)(H,24,26)
InChIKeyGIIGKRDPTDAANZ-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.42
Rot. Bonds5

About N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 166797957) has the molecular formula C20H20ClFN4OS and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
PubChem CID166797957
Molecular FormulaC20H20ClFN4OS
Molecular Weight418.93 g/mol
Exact Mass418.10
IUPAC NameN-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESC=C1C=C(c2nc(C)cs2)N=C(c2c(Cl)ccc(CNC(=O)C(C)C)c2F)N1
InChIInChI=1S/C20H20ClFN4OS/c1-10(2)19(27)23-8-13-5-6-14(21)16(17(13)22)18-24-11(3)7-15(26-18)20-25-12(4)9-28-20/h5-7,9-10H,3,8H2,1-2,4H3,(H,23,27)(H,24,26)
InChIKeyGIIGKRDPTDAANZ-UHFFFAOYSA-N
XLogP4.42
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

CID 7518316
CID 7518316
CID 155883409
CID 155883409
CID 155883453
CID 155883453
CID 155883454
CID 155883454
CID 155883456
CID 155883456
CID 24819282
CID 24819282
CID 155883449
CID 155883449
CID 24818952
CID 24818952
CID 24790285
CID 24790285
CID 24793110
CID 24793110
CID 39084569
CID 39084569
CID 49789777
CID 49789777

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (CID 166797957) is N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is C=C1C=C(c2nc(C)cs2)N=C(c2c(Cl)ccc(CNC(=O)C(C)C)c2F)N1.
What is the InChIKey of N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is GIIGKRDPTDAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4OS/c1-10(2)19(27)23-8-13-5-6-14(21)16(17(13)22)18-24-11(3)7-15(26-18)20-25-12(4)9-28-20/h5-7,9-10H,3,8H2,1-2,4H3,(H,23,27)(H,24,26).
What are the key properties of N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 418.93 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-fluoro-3-[6-methylidene-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 166797957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).