N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C18H13ClF3N7O3S — CID 70871825

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2n1CC(=O)N2)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C18H13ClF3N7O3S/c1-7(26-14(31)10-4-25-17-28-13(30)6-29(10)17)16-24-5-11(33-16)15(32)27-12-2-8(18(20,21)22)9(19)3-23-12/h2-5,7H,6H2,1H3,(H,26,31)(H,23,27,32)(H,25,28,30)/t7-/m1/s1
InChIKeySZPZCFSIVNMOQR-SSDOTTSWSA-N
MW499.86 g/mol
LogP3.10
Rot. Bonds5

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 70871825) has the molecular formula C18H13ClF3N7O3S and a molecular weight of 499.86 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID70871825
Molecular FormulaC18H13ClF3N7O3S
Molecular Weight499.86 g/mol
Exact Mass499.04
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2n1CC(=O)N2)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C18H13ClF3N7O3S/c1-7(26-14(31)10-4-25-17-28-13(30)6-29(10)17)16-24-5-11(33-16)15(32)27-12-2-8(18(20,21)22)9(19)3-23-12/h2-5,7H,6H2,1H3,(H,26,31)(H,23,27,32)(H,25,28,30)/t7-/m1/s1
InChIKeySZPZCFSIVNMOQR-SSDOTTSWSA-N
XLogP3.10
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.86
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 70871825) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cnc2n1CC(=O)N2)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SZPZCFSIVNMOQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C18H13ClF3N7O3S/c1-7(26-14(31)10-4-25-17-28-13(30)6-29(10)17)16-24-5-11(33-16)15(32)27-12-2-8(18(20,21)22)9(19)3-23-12/h2-5,7H,6H2,1H3,(H,26,31)(H,23,27,32)(H,25,28,30)/t7-/m1/s1.
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 499.86 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[(6-oxo-5,7-dihydroimidazo[1,2-a]imidazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70871825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).