N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C17H17F2N5OS — CID 166278224

IUPACN-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2[nH]1)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C17H17F2N5OS/c18-10-5-12-13(6-11(10)19)23-17(22-12)24-16(25)14-8-26-15(21-14)4-9-2-1-3-20-7-9/h5-6,8-9,20H,1-4,7H2,(H2,22,23,24,25)
InChIKeyNPOPCLXIIVVOHR-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.09
Rot. Bonds4

About N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166278224) has the molecular formula C17H17F2N5OS and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID166278224
Molecular FormulaC17H17F2N5OS
Molecular Weight377.42 g/mol
Exact Mass377.11
IUPAC NameN-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2[nH]1)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C17H17F2N5OS/c18-10-5-12-13(6-11(10)19)23-17(22-12)24-16(25)14-8-26-15(21-14)4-9-2-1-3-20-7-9/h5-6,8-9,20H,1-4,7H2,(H2,22,23,24,25)
InChIKeyNPOPCLXIIVVOHR-UHFFFAOYSA-N
XLogP3.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 166278224) is N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc2cc(F)c(F)cc2[nH]1)c1csc(CC2CCCNC2)n1.
What is the InChIKey of N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NPOPCLXIIVVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5OS/c18-10-5-12-13(6-11(10)19)23-17(22-12)24-16(25)14-8-26-15(21-14)4-9-2-1-3-20-7-9/h5-6,8-9,20H,1-4,7H2,(H2,22,23,24,25).
What are the key properties of N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-benzimidazol-2-yl)-2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).