[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

C16H17N5O2S — CID 94032824

IUPAC[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnn(C)c3)n2)on1
InChIInChI=1S/C16H17N5O2S/c1-10-6-14(23-19-10)13-4-3-5-21(13)16(22)12-9-24-15(18-12)11-7-17-20(2)8-11/h6-9,13H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyIKLCNCFNGFHJAS-ZDUSSCGKSA-N
MW343.41 g/mol
LogP2.82
Rot. Bonds3

About [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 94032824) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
PubChem CID94032824
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnn(C)c3)n2)on1
InChIInChI=1S/C16H17N5O2S/c1-10-6-14(23-19-10)13-4-3-5-21(13)16(22)12-9-24-15(18-12)11-7-17-20(2)8-11/h6-9,13H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyIKLCNCFNGFHJAS-ZDUSSCGKSA-N
XLogP2.82
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone (CID 94032824) is [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is Cc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnn(C)c3)n2)on1.
What is the InChIKey of [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is IKLCNCFNGFHJAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-6-14(23-19-10)13-4-3-5-21(13)16(22)12-9-24-15(18-12)11-7-17-20(2)8-11/h6-9,13H,3-5H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone?
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 343.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 94032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).