N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C25H26ClN5O2S2 — CID 155311034

IUPACN-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1cc2sc(NCCO)nc2s1
InChIInChI=1S/C25H26ClN5O2S2/c26-18-3-7-20(8-4-18)31-12-10-30(11-13-31)16-17-1-5-19(6-2-17)28-23(33)21-15-22-24(34-21)29-25(35-22)27-9-14-32/h1-8,15,32H,9-14,16H2,(H,27,29)(H,28,33)
InChIKeyJWRBCTIVFMTVTP-UHFFFAOYSA-N
MW528.10 g/mol
LogP4.99
Rot. Bonds8

About N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 155311034) has the molecular formula C25H26ClN5O2S2 and a molecular weight of 528.10 g/mol. Its IUPAC name is N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID155311034
Molecular FormulaC25H26ClN5O2S2
Molecular Weight528.10 g/mol
Exact Mass527.12
IUPAC NameN-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1cc2sc(NCCO)nc2s1
InChIInChI=1S/C25H26ClN5O2S2/c26-18-3-7-20(8-4-18)31-12-10-30(11-13-31)16-17-1-5-19(6-2-17)28-23(33)21-15-22-24(34-21)29-25(35-22)27-9-14-32/h1-8,15,32H,9-14,16H2,(H,27,29)(H,28,33)
InChIKeyJWRBCTIVFMTVTP-UHFFFAOYSA-N
XLogP4.99
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.10
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-(4-chlorobenzoyl)piperidin-1-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155310625
N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618429
2-[2-(4-chlorophenoxy)ethylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618353
5-bromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 155287783
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
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3,6-dichloro-N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 155311034) is N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1cc2sc(NCCO)nc2s1.
What is the InChIKey of N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is JWRBCTIVFMTVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2S2/c26-18-3-7-20(8-4-18)31-12-10-30(11-13-31)16-17-1-5-19(6-2-17)28-23(33)21-15-22-24(34-21)29-25(35-22)27-9-14-32/h1-8,15,32H,9-14,16H2,(H,27,29)(H,28,33).
What are the key properties of N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 528.10 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 155311034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).