N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H18F5N5OS — CID 59455629

IUPACN-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CC(C(F)(F)F)CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C21H18F5N5OS/c22-13-2-1-3-14(23)18(13)20-30-16(10-33-20)19(32)29-15-7-28-5-4-17(15)31-8-11(21(24,25)26)6-12(27)9-31/h1-5,7,10-12H,6,8-9,27H2,(H,29,32)
InChIKeyPAWYDNPYJNAJHA-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.45
Rot. Bonds4

About N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59455629) has the molecular formula C21H18F5N5OS and a molecular weight of 483.47 g/mol. Its IUPAC name is N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID59455629
Molecular FormulaC21H18F5N5OS
Molecular Weight483.47 g/mol
Exact Mass483.12
IUPAC NameN-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CC(C(F)(F)F)CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C21H18F5N5OS/c22-13-2-1-3-14(23)18(13)20-30-16(10-33-20)19(32)29-15-7-28-5-4-17(15)31-8-11(21(24,25)26)6-12(27)9-31/h1-5,7,10-12H,6,8-9,27H2,(H,29,32)
InChIKeyPAWYDNPYJNAJHA-UHFFFAOYSA-N
XLogP4.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 59455629) is N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC1CC(C(F)(F)F)CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1.
What is the InChIKey of N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PAWYDNPYJNAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N5OS/c22-13-2-1-3-14(23)18(13)20-30-16(10-33-20)19(32)29-15-7-28-5-4-17(15)31-8-11(21(24,25)26)6-12(27)9-31/h1-5,7,10-12H,6,8-9,27H2,(H,29,32).
What are the key properties of N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 483.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59455629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).