N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride

C18H25ClN6O4S — CID 140543037

IUPACN-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccnc1N1CCN(CO)CC1O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O4S.ClH/c25-12-22-4-5-24(15(26)10-22)16-13(2-1-3-19-16)20-17(27)14-11-29-18(21-14)23-6-8-28-9-7-23;/h1-3,11,15,25-26H,4-10,12H2,(H,20,27);1H
InChIKeySSGKBZIMTGJBAR-UHFFFAOYSA-N
MW456.96 g/mol
LogP0.44
Rot. Bonds5

About N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride

N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 140543037) has the molecular formula C18H25ClN6O4S and a molecular weight of 456.96 g/mol. Its IUPAC name is N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID140543037
Molecular FormulaC18H25ClN6O4S
Molecular Weight456.96 g/mol
Exact Mass456.13
IUPAC NameN-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccnc1N1CCN(CO)CC1O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O4S.ClH/c25-12-22-4-5-24(15(26)10-22)16-13(2-1-3-19-16)20-17(27)14-11-29-18(21-14)23-6-8-28-9-7-23;/h1-3,11,15,25-26H,4-10,12H2,(H,20,27);1H
InChIKeySSGKBZIMTGJBAR-UHFFFAOYSA-N
XLogP0.44
TPSA114.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
N-[2-[4-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67271184
2,5-dichloro-N-(2-morpholin-4-yl-3-pyridinyl)benzamide
CID 47071256
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-4-cyanophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 67270071
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N-(2,3-difluorophenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 154780005

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 140543037) is N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccnc1N1CCN(CO)CC1O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is SSGKBZIMTGJBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4S.ClH/c25-12-22-4-5-24(15(26)10-22)16-13(2-1-3-19-16)20-17(27)14-11-29-18(21-14)23-6-8-28-9-7-23;/h1-3,11,15,25-26H,4-10,12H2,(H,20,27);1H.
What are the key properties of N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 456.96 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-4-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 140543037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).