N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C17H23N3O2S2 — CID 77095379

IUPACN-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CN(CCO)C(=O)c2cnc(CN3CCCC3)s2)s1
InChIInChI=1S/C17H23N3O2S2/c1-13-4-5-14(23-13)11-20(8-9-21)17(22)15-10-18-16(24-15)12-19-6-2-3-7-19/h4-5,10,21H,2-3,6-9,11-12H2,1H3
InChIKeyHSAJNKIAALTKSD-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.74
Rot. Bonds7

About N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 77095379) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID77095379
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CN(CCO)C(=O)c2cnc(CN3CCCC3)s2)s1
InChIInChI=1S/C17H23N3O2S2/c1-13-4-5-14(23-13)11-20(8-9-21)17(22)15-10-18-16(24-15)12-19-6-2-3-7-19/h4-5,10,21H,2-3,6-9,11-12H2,1H3
InChIKeyHSAJNKIAALTKSD-UHFFFAOYSA-N
XLogP2.74
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176502241
N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74238492
2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
CID 135108470
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118785450
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031322
N-(2-hydroxyethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505711
3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propanoic acid
CID 82424704
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74233096
N-(2-hydroxyethyl)-5-methoxy-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 77083995
N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
CID 50982102
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 77095379) is N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(CN(CCO)C(=O)c2cnc(CN3CCCC3)s2)s1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HSAJNKIAALTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-13-4-5-14(23-13)11-20(8-9-21)17(22)15-10-18-16(24-15)12-19-6-2-3-7-19/h4-5,10,21H,2-3,6-9,11-12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77095379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).