7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide

C17H22FN3OS — CID 119681442

IUPAC7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
SMILESCc1sc(NC(=O)CCCCCCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN3OS/c1-12-16(13-7-9-14(18)10-8-13)21-17(23-12)20-15(22)6-4-2-3-5-11-19/h7-10H,2-6,11,19H2,1H3,(H,20,21,22)
InChIKeyGHIIDEIRJJDWAQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.11
Rot. Bonds8

About 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide

7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide (PubChem CID 119681442) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
PubChem CID119681442
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
SMILESCc1sc(NC(=O)CCCCCCN)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN3OS/c1-12-16(13-7-9-14(18)10-8-13)21-17(23-12)20-15(22)6-4-2-3-5-11-19/h7-10H,2-6,11,19H2,1H3,(H,20,21,22)
InChIKeyGHIIDEIRJJDWAQ-UHFFFAOYSA-N
XLogP4.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19219149
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
CID 143593087

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide (CID 119681442) is 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide is Cc1sc(NC(=O)CCCCCCN)nc1-c1ccc(F)cc1.
What is the InChIKey of 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide?
The InChIKey is GHIIDEIRJJDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-12-16(13-7-9-14(18)10-8-13)21-17(23-12)20-15(22)6-4-2-3-5-11-19/h7-10H,2-6,11,19H2,1H3,(H,20,21,22).
What are the key properties of 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide?
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide has a molecular weight of 335.45 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide is sourced from PubChem (CID 119681442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).