ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol

C18H21N3OS — CID 143863469

IUPACethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
SMILESCC.Cc1cccc(Nc2nc(-c3ccncc3)c(CO)s2)c1
InChIInChI=1S/C16H15N3OS.C2H6/c1-11-3-2-4-13(9-11)18-16-19-15(14(10-20)21-16)12-5-7-17-8-6-12;1-2/h2-9,20H,10H2,1H3,(H,18,19);1-2H3
InChIKeyDMBCCXOTUNEURR-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.78
Rot. Bonds4

About ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol

ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol (PubChem CID 143863469) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Nameethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
PubChem CID143863469
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Nameethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
SMILESCC.Cc1cccc(Nc2nc(-c3ccncc3)c(CO)s2)c1
InChIInChI=1S/C16H15N3OS.C2H6/c1-11-3-2-4-13(9-11)18-16-19-15(14(10-20)21-16)12-5-7-17-8-6-12;1-2/h2-9,20H,10H2,1H3,(H,18,19);1-2H3
InChIKeyDMBCCXOTUNEURR-UHFFFAOYSA-N
XLogP4.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 44818114
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956720
[2-[4-methylsulfonyl-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
CID 164587647
4-[[4-(2,6-dimethyl-4-pyridinyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]benzenesulfonic acid
CID 164587766
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 53437684
2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
1-[5-(3-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4051152

Frequently Asked Questions

What is the IUPAC name of ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol (CID 143863469) is ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol is CC.Cc1cccc(Nc2nc(-c3ccncc3)c(CO)s2)c1.
What is the InChIKey of ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is DMBCCXOTUNEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS.C2H6/c1-11-3-2-4-13(9-11)18-16-19-15(14(10-20)21-16)12-5-7-17-8-6-12;1-2/h2-9,20H,10H2,1H3,(H,18,19);1-2H3.
What are the key properties of ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol?
ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 327.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 143863469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).