2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

C19H25N3O3S — CID 72649631

IUPAC2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)c1ccccc1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C19H25N3O3S/c1-4-8-14(17(24)22-19-20-11-15(26-19)12(2)3)21-18(25)16(23)13-9-6-5-7-10-13/h5-7,9-12,14,16,23H,4,8H2,1-3H3,(H,21,25)(H,20,22,24)
InChIKeyBTIZHNSVRMKKIN-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.22
Rot. Bonds8

About 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 72649631) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID72649631
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)C(O)c1ccccc1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C19H25N3O3S/c1-4-8-14(17(24)22-19-20-11-15(26-19)12(2)3)21-18(25)16(23)13-9-6-5-7-10-13/h5-7,9-12,14,16,23H,4,8H2,1-3H3,(H,21,25)(H,20,22,24)
InChIKeyBTIZHNSVRMKKIN-UHFFFAOYSA-N
XLogP3.22
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170708
(2S)-2-(4,4-dimethoxybutan-2-ylamino)-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 11566615
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 72649627
N-[5-[1-(benzylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91176467
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-[5-(6-methylhept-5-en-2-yl)-1,3-thiazol-2-yl]pentanamide
CID 72649623
tert-butyl N-[1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-4-(tritylamino)butan-2-yl]carbamate
CID 87899893
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-[5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazol-2-yl]pentanamide
CID 91171534
(2R)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
CID 91463263
(2S)-3-ethyl-2-hydroxy-N-[1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide
CID 91406685
2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
CID 91380505
(2S)-N-[1-[[5-[2-[(2,6-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-2-hydroxy-3,3-dimethylbutanamide
CID 140500429
(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-N-[5-[4-methyl-2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide
CID 87219281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (CID 72649631) is 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is CCCC(NC(=O)C(O)c1ccccc1)C(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is BTIZHNSVRMKKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-8-14(17(24)22-19-20-11-15(26-19)12(2)3)21-18(25)16(23)13-9-6-5-7-10-13/h5-7,9-12,14,16,23H,4,8H2,1-3H3,(H,21,25)(H,20,22,24).
What are the key properties of 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 375.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 72649631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).