4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine

C21H28FN3S — CID 145155858

IUPAC4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine
SMILES[H]/N=C(/C=C(N)C(C)(C)F)c1ccc(-c2ccc(CCCCCC)s2)cn1
InChIInChI=1S/C21H28FN3S/c1-4-5-6-7-8-16-10-12-19(26-16)15-9-11-18(25-14-15)17(23)13-20(24)21(2,3)22/h9-14,23H,4-8,24H2,1-3H3/b20-13?,23-17-
InChIKeyASQPQRKXEBDDQD-QHHBBRJFSA-N
MW373.54 g/mol
LogP5.89
Rot. Bonds9

About 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine

4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine (PubChem CID 145155858) has the molecular formula C21H28FN3S and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine
PubChem CID145155858
Molecular FormulaC21H28FN3S
Molecular Weight373.54 g/mol
Exact Mass373.20
IUPAC Name4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine
SMILES[H]/N=C(/C=C(N)C(C)(C)F)c1ccc(-c2ccc(CCCCCC)s2)cn1
InChIInChI=1S/C21H28FN3S/c1-4-5-6-7-8-16-10-12-19(26-16)15-9-11-18(25-14-15)17(23)13-20(24)21(2,3)22/h9-14,23H,4-8,24H2,1-3H3/b20-13?,23-17-
InChIKeyASQPQRKXEBDDQD-QHHBBRJFSA-N
XLogP5.89
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-1-[5-(5-butylthiophen-2-yl)-2-pyridinyl]-3-imino-3-(2,3,4,5,6-pentafluorophenyl)prop-1-en-1-amine
CID 145155864
1,1,1-trifluoro-4-imino-4-(4-nonyl-2-pyridinyl)but-2-en-2-amine
CID 140687388
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
5-(5-butylthiophen-2-yl)-2-[4-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155800
5,8-dibromo-2,3-bis[4-(5-octylthiophen-2-yl)phenyl]quinoxaline
CID 141341816
7,17-bis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149902
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]anilino]phenyl]-N-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
CID 58825538

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine?
The IUPAC name of 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine (CID 145155858) is 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine.
What is the SMILES notation for 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine?
The canonical SMILES for 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine is [H]/N=C(/C=C(N)C(C)(C)F)c1ccc(-c2ccc(CCCCCC)s2)cn1.
What is the InChIKey of 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine?
The InChIKey is ASQPQRKXEBDDQD-QHHBBRJFSA-N. The full InChI is InChI=1S/C21H28FN3S/c1-4-5-6-7-8-16-10-12-19(26-16)15-9-11-18(25-14-15)17(23)13-20(24)21(2,3)22/h9-14,23H,4-8,24H2,1-3H3/b20-13?,23-17-.
What are the key properties of 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine?
4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine has a molecular weight of 373.54 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[5-(5-hexylthiophen-2-yl)-2-pyridinyl]-1-imino-4-methylpent-2-en-3-amine is sourced from PubChem (CID 145155858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).