N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide

C35H52N2O2S — CID 57136339

IUPACN-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)c2cccc(CN3C=C(C)SC3)c2)cc1
InChIInChI=1S/C35H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-39-34-22-20-31(21-23-34)28-37(35(38)5-2)33-19-17-18-32(25-33)27-36-26-30(3)40-29-36/h17-23,25-26H,4-16,24,27-29H2,1-3H3
InChIKeyBVPWCWOEQQMTJH-UHFFFAOYSA-N
MW564.88 g/mol
LogP10.08
Rot. Bonds20

About N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide

N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide (PubChem CID 57136339) has the molecular formula C35H52N2O2S and a molecular weight of 564.88 g/mol. Its IUPAC name is N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
PubChem CID57136339
Molecular FormulaC35H52N2O2S
Molecular Weight564.88 g/mol
Exact Mass564.37
IUPAC NameN-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
SMILESCCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)c2cccc(CN3C=C(C)SC3)c2)cc1
InChIInChI=1S/C35H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-39-34-22-20-31(21-23-34)28-37(35(38)5-2)33-19-17-18-32(25-33)27-36-26-30(3)40-29-36/h17-23,25-26H,4-16,24,27-29H2,1-3H3
InChIKeyBVPWCWOEQQMTJH-UHFFFAOYSA-N
XLogP10.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.88
LogP ≤ 510.08
H-Bond Donors ≤ 50
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-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343711
N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]propanamide;hydrobromide
CID 173343365
1-[(3-methoxy-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]urea
CID 56985674
1-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]urea
CID 57152062
N-[2-(4-hexadecoxyphenyl)ethyl]-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57078016
N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[2-(4-tetradecoxyphenyl)ethyl]acetamide
CID 57312720
N-[2-(4-chloro-3-tetradecoxyphenyl)ethyl]-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57166370
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342252
N-[(3-tetradecoxyphenyl)methyl]-N-[4-(2H-1,3-thiazol-3-ylmethyl)phenyl]propanamide
CID 57286208
N-[(4-tetradecoxyphenyl)methyl]-N-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]propanamide
CID 19923082
N-[3-[(3,5-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide
CID 19923483
1-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea
CID 173342854

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
The IUPAC name of N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide (CID 57136339) is N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide is CCCCCCCCCCCCCCOc1ccc(CN(C(=O)CC)c2cccc(CN3C=C(C)SC3)c2)cc1.
What is the InChIKey of N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
The InChIKey is BVPWCWOEQQMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N2O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-39-34-22-20-31(21-23-34)28-37(35(38)5-2)33-19-17-18-32(25-33)27-36-26-30(3)40-29-36/h17-23,25-26H,4-16,24,27-29H2,1-3H3.
What are the key properties of N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide?
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide has a molecular weight of 564.88 g/mol, XLogP of 10.08, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide is sourced from PubChem (CID 57136339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).