N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

C18H17FN4OS — CID 126780595

IUPACN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)Nc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN4OS/c19-12-7-5-11(6-8-12)16-10-20-18(25-16)21-17(24)9-15-13-3-1-2-4-14(13)22-23-15/h5-8,10H,1-4,9H2,(H,22,23)(H,20,21,24)
InChIKeyHHOHDNJTPNFQTE-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.73
Rot. Bonds4

About N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (PubChem CID 126780595) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
PubChem CID126780595
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)Nc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN4OS/c19-12-7-5-11(6-8-12)16-10-20-18(25-16)21-17(24)9-15-13-3-1-2-4-14(13)22-23-15/h5-8,10H,1-4,9H2,(H,22,23)(H,20,21,24)
InChIKeyHHOHDNJTPNFQTE-UHFFFAOYSA-N
XLogP3.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (CID 126780595) is N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is O=C(Cc1n[nH]c2c1CCCC2)Nc1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The InChIKey is HHOHDNJTPNFQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-12-7-5-11(6-8-12)16-10-20-18(25-16)21-17(24)9-15-13-3-1-2-4-14(13)22-23-15/h5-8,10H,1-4,9H2,(H,22,23)(H,20,21,24).
What are the key properties of N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 126780595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).