2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C16H15F2N5OS — CID 167988961

IUPAC2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNc1nc2c(s1)CCCC2C(=O)NCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C16H15F2N5OS/c17-8-4-5-9-14(12(8)18)22-11(21-9)6-20-15(24)7-2-1-3-10-13(7)23-16(19)25-10/h4-5,7H,1-3,6H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyFDSLSTBIOAPKRW-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 167988961) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID167988961
Molecular FormulaC16H15F2N5OS
Molecular Weight363.39 g/mol
Exact Mass363.10
IUPAC Name2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNc1nc2c(s1)CCCC2C(=O)NCc1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C16H15F2N5OS/c17-8-4-5-9-14(12(8)18)22-11(21-9)6-20-15(24)7-2-1-3-10-13(7)23-16(19)25-10/h4-5,7H,1-3,6H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyFDSLSTBIOAPKRW-UHFFFAOYSA-N
XLogP2.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 167988961) is 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is Nc1nc2c(s1)CCCC2C(=O)NCc1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is FDSLSTBIOAPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c17-8-4-5-9-14(12(8)18)22-11(21-9)6-20-15(24)7-2-1-3-10-13(7)23-16(19)25-10/h4-5,7H,1-3,6H2,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 167988961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).