N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H19F2N5O2S — CID 71262603

IUPACN-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CCCN(C(=O)c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C21H19F2N5O2S/c22-14-4-1-5-15(23)18(14)20-27-17(11-31-20)19(29)26-16-9-25-7-6-13(16)21(30)28-8-2-3-12(24)10-28/h1,4-7,9,11-12H,2-3,8,10,24H2,(H,26,29)
InChIKeyWCSZZDAPZIOHLT-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71262603) has the molecular formula C21H19F2N5O2S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71262603
Molecular FormulaC21H19F2N5O2S
Molecular Weight443.48 g/mol
Exact Mass443.12
IUPAC NameN-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC1CCCN(C(=O)c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1
InChIInChI=1S/C21H19F2N5O2S/c22-14-4-1-5-15(23)18(14)20-27-17(11-31-20)19(29)26-16-9-25-7-6-13(16)21(30)28-8-2-3-12(24)10-28/h1,4-7,9,11-12H,2-3,8,10,24H2,(H,26,29)
InChIKeyWCSZZDAPZIOHLT-UHFFFAOYSA-N
XLogP3.30
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 71262603) is N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC1CCCN(C(=O)c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C1.
What is the InChIKey of N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WCSZZDAPZIOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2S/c22-14-4-1-5-15(23)18(14)20-27-17(11-31-20)19(29)26-16-9-25-7-6-13(16)21(30)28-8-2-3-12(24)10-28/h1,4-7,9,11-12H,2-3,8,10,24H2,(H,26,29).
What are the key properties of N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopiperidine-1-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).