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

C20H29ClN4O2S — CID 3039476

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C20H28N4O2S.ClH/c1-3-6-19-22-15-18(27-19)20(25)21-9-10-23-11-13-24(14-12-23)16-7-4-5-8-17(16)26-2;/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25);1H
InChIKeyGULVUOAVTWFYGS-UHFFFAOYSA-N
MW425.00 g/mol
LogP3.08
Rot. Bonds8

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 3039476) has the molecular formula C20H29ClN4O2S and a molecular weight of 425.00 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID3039476
Molecular FormulaC20H29ClN4O2S
Molecular Weight425.00 g/mol
Exact Mass424.17
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCCCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl
InChIInChI=1S/C20H28N4O2S.ClH/c1-3-6-19-22-15-18(27-19)20(25)21-9-10-23-11-13-24(14-12-23)16-7-4-5-8-17(16)26-2;/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25);1H
InChIKeyGULVUOAVTWFYGS-UHFFFAOYSA-N
XLogP3.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.00
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449647
N-{2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1490230
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
5-Thiazolecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-2-propyl-
CID 3039682
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 3039476) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride is CCCc1ncc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)s1.Cl.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GULVUOAVTWFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S.ClH/c1-3-6-19-22-15-18(27-19)20(25)21-9-10-23-11-13-24(14-12-23)16-7-4-5-8-17(16)26-2;/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25);1H.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 425.00 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 3039476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).