2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C15H19N3O2S — CID 95621644

IUPAC2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H](O)CN(CC(=O)N(C)c1nccs1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(19)10-18(13-6-4-3-5-7-13)11-14(20)17(2)15-16-8-9-21-15/h3-9,12,19H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXQCYFCDUFXQZTN-LBPRGKRZSA-N
MW305.40 g/mol
LogP1.99
Rot. Bonds6

About 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95621644) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95621644
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H](O)CN(CC(=O)N(C)c1nccs1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(19)10-18(13-6-4-3-5-7-13)11-14(20)17(2)15-16-8-9-21-15/h3-9,12,19H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyXQCYFCDUFXQZTN-LBPRGKRZSA-N
XLogP1.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
N-methyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 110723376
N-methyl-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95975344
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95630125
2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 87016425
N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]-N-(1,3-thiazol-2-yl)acetamide
CID 75448103
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
CID 124508201
2-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 56787362
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 95621644) is 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is C[C@H](O)CN(CC(=O)N(C)c1nccs1)c1ccccc1.
What is the InChIKey of 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XQCYFCDUFXQZTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(19)10-18(13-6-4-3-5-7-13)11-14(20)17(2)15-16-8-9-21-15/h3-9,12,19H,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2S)-2-hydroxypropyl]anilino)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95621644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).