N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide

C22H32N4O2S — CID 3039682

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)s1
InChIInChI=1S/C22H32N4O2S/c1-3-8-21-24-17-20(29-21)22(27)23-11-6-7-12-25-13-15-26(16-14-25)18-9-4-5-10-19(18)28-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,23,27)
InChIKeyREFLFKYHVAUXNF-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.44
Rot. Bonds10

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 3039682) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID3039682
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)s1
InChIInChI=1S/C22H32N4O2S/c1-3-8-21-24-17-20(29-21)22(27)23-11-6-7-12-25-13-15-26(16-14-25)18-9-4-5-10-19(18)28-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,23,27)
InChIKeyREFLFKYHVAUXNF-UHFFFAOYSA-N
XLogP3.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449647
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-phenyl-, monohydrochloride
CID 3039478
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-methyl-2-propyl-, monohydrochloride
CID 3039480
5-Thiazolecarboxamide, 2-ethyl-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, hydrochloride
CID 3039586
N-(3-methoxyphenyl)-3-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 24790061
US20240000767, Example 97
CID 156735120
US10130633, Example 107
CID 90462400
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-propyl-, monohydrochloride
CID 3039476
2-Thiazolecarboxamide, 5-butyl-N-(4-(2-(methoxyphenyl)-1-piperazinyl)ethyl)-, hydrochloride
CID 3045138
2-Thiazolecarboxamide, 5-butyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride
CID 3045142
2-(2-methoxyanilino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 72015974
3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyphenyl)butanamide
CID 75383201

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 3039682) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)s1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is REFLFKYHVAUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-3-8-21-24-17-20(29-21)22(27)23-11-6-7-12-25-13-15-26(16-14-25)18-9-4-5-10-19(18)28-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.59 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3039682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).