(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C16H23N5O2S — CID 124624168

IUPAC(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCCn1cc([C@@H]2CN(C(=O)Nc3ncc(C(C)C)s3)CCO2)cn1
InChIInChI=1S/C16H23N5O2S/c1-4-21-9-12(7-18-21)13-10-20(5-6-23-13)16(22)19-15-17-8-14(24-15)11(2)3/h7-9,11,13H,4-6,10H2,1-3H3,(H,17,19,22)/t13-/m0/s1
InChIKeyWREDNSGWSQNLIL-ZDUSSCGKSA-N
MW349.46 g/mol
LogP3.09
Rot. Bonds4

About (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 124624168) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID124624168
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCCn1cc([C@@H]2CN(C(=O)Nc3ncc(C(C)C)s3)CCO2)cn1
InChIInChI=1S/C16H23N5O2S/c1-4-21-9-12(7-18-21)13-10-20(5-6-23-13)16(22)19-15-17-8-14(24-15)11(2)3/h7-9,11,13H,4-6,10H2,1-3H3,(H,17,19,22)/t13-/m0/s1
InChIKeyWREDNSGWSQNLIL-ZDUSSCGKSA-N
XLogP3.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 124624168) is (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide is CCn1cc([C@@H]2CN(C(=O)Nc3ncc(C(C)C)s3)CCO2)cn1.
What is the InChIKey of (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is WREDNSGWSQNLIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-4-21-9-12(7-18-21)13-10-20(5-6-23-13)16(22)19-15-17-8-14(24-15)11(2)3/h7-9,11,13H,4-6,10H2,1-3H3,(H,17,19,22)/t13-/m0/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124624168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).