N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide

C19H17ClF3N5O2S — CID 146536320

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](NNC(O)c1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C19H17ClF3N5O2S/c1-10(27-28-16(29)11-5-3-2-4-6-11)18-25-9-14(31-18)17(30)26-15-7-12(19(21,22)23)13(20)8-24-15/h2-10,16,27-29H,1H3,(H,24,26,30)/t10-,16?/m0/s1
InChIKeyHIVFQAHZYVDNGU-VQVVDHBBSA-N
MW471.89 g/mol
LogP4.31
Rot. Bonds7

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 146536320) has the molecular formula C19H17ClF3N5O2S and a molecular weight of 471.89 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID146536320
Molecular FormulaC19H17ClF3N5O2S
Molecular Weight471.89 g/mol
Exact Mass471.07
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](NNC(O)c1ccccc1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C19H17ClF3N5O2S/c1-10(27-28-16(29)11-5-3-2-4-6-11)18-25-9-14(31-18)17(30)26-15-7-12(19(21,22)23)13(20)8-24-15/h2-10,16,27-29H,1H3,(H,24,26,30)/t10-,16?/m0/s1
InChIKeyHIVFQAHZYVDNGU-VQVVDHBBSA-N
XLogP4.31
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.89
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide (CID 146536320) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide is C[C@H](NNC(O)c1ccccc1)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-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HIVFQAHZYVDNGU-VQVVDHBBSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2S/c1-10(27-28-16(29)11-5-3-2-4-6-11)18-25-9-14(31-18)17(30)26-15-7-12(19(21,22)23)13(20)8-24-15/h2-10,16,27-29H,1H3,(H,24,26,30)/t10-,16?/m0/s1.
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 471.89 g/mol, XLogP of 4.31, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1S)-1-[2-[hydroxy(phenyl)methyl]hydrazinyl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146536320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).