N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide

C18H15FN8O2S — CID 167025836

IUPACN-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nc2cnc(F)c(N3CCOCC3)c2s1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H15FN8O2S/c19-15-13(27-5-7-29-8-6-27)14-12(9-20-15)21-18(30-14)22-17(28)11-3-1-10(2-4-11)16-23-25-26-24-16/h1-4,9H,5-8H2,(H,21,22,28)(H,23,24,25,26)
InChIKeyWIHRDXRAFCONFM-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.10
Rot. Bonds4

About N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide

N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 167025836) has the molecular formula C18H15FN8O2S and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID167025836
Molecular FormulaC18H15FN8O2S
Molecular Weight426.44 g/mol
Exact Mass426.10
IUPAC NameN-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nc2cnc(F)c(N3CCOCC3)c2s1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H15FN8O2S/c19-15-13(27-5-7-29-8-6-27)14-12(9-20-15)21-18(30-14)22-17(28)11-3-1-10(2-4-11)16-23-25-26-24-16/h1-4,9H,5-8H2,(H,21,22,28)(H,23,24,25,26)
InChIKeyWIHRDXRAFCONFM-UHFFFAOYSA-N
XLogP2.10
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462568
4-[3-fluoro-2-(2H-tetrazol-5-yl)phenyl]morpholine
CID 124518132
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-(2H-tetrazol-5-yl)benzamide
CID 20635436

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide (CID 167025836) is N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nc2cnc(F)c(N3CCOCC3)c2s1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is WIHRDXRAFCONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN8O2S/c19-15-13(27-5-7-29-8-6-27)14-12(9-20-15)21-18(30-14)22-17(28)11-3-1-10(2-4-11)16-23-25-26-24-16/h1-4,9H,5-8H2,(H,21,22,28)(H,23,24,25,26).
What are the key properties of N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide?
N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 167025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).