(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide

C19H23N5OS — CID 97272953

IUPAC(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H23N5OS/c1-13(2)17-21-9-10-24(17)14(3)18(25)22-8-6-16-12-26-19(23-16)15-5-4-7-20-11-15/h4-5,7,9-14H,6,8H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyLXERTMAFULLWKF-AWEZNQCLSA-N
MW369.49 g/mol
LogP3.44
Rot. Bonds7

About (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 97272953) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID97272953
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H23N5OS/c1-13(2)17-21-9-10-24(17)14(3)18(25)22-8-6-16-12-26-19(23-16)15-5-4-7-20-11-15/h4-5,7,9-14H,6,8H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyLXERTMAFULLWKF-AWEZNQCLSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70720614
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101057
2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 91789629
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
CID 110305177
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110305204
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118779413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 97272953) is (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide is CC(C)c1nccn1[C@@H](C)C(=O)NCCc1csc(-c2cccnc2)n1.
What is the InChIKey of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is LXERTMAFULLWKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(2)17-21-9-10-24(17)14(3)18(25)22-8-6-16-12-26-19(23-16)15-5-4-7-20-11-15/h4-5,7,9-14H,6,8H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 97272953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).