2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 120627358

IUPAC2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1
InChIInChI=1S/C17H21N3O2S/c18-9-8-15-19-13(11-23-15)17(21)20-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-3,5-6,11,14,16H,4,7-10,18H2,(H,20,21)
InChIKeySXZWPXQPDMTRGC-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.29
Rot. Bonds6

About 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120627358) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120627358
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1
InChIInChI=1S/C17H21N3O2S/c18-9-8-15-19-13(11-23-15)17(21)20-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-3,5-6,11,14,16H,4,7-10,18H2,(H,20,21)
InChIKeySXZWPXQPDMTRGC-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119757405
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 66390847
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
2-(2-aminoethyl)-N-(2-morpholin-4-yl-1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 120640463
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 120636487
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(2-aminoethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638689
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide (CID 120627358) is 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC(c2ccccc2)C2CCCO2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SXZWPXQPDMTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c18-9-8-15-19-13(11-23-15)17(21)20-16(14-7-4-10-22-14)12-5-2-1-3-6-12/h1-3,5-6,11,14,16H,4,7-10,18H2,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120627358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).