4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

C17H21N3O2S — CID 99875296

IUPAC4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H]2CCN(c3nccs3)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)22-15-5-3-13(4-6-15)16(21)19-14-7-9-20(11-14)17-18-8-10-23-17/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyNXERTQJOUZXPCQ-CQSZACIVSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds5

About 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (PubChem CID 99875296) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
PubChem CID99875296
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H]2CCN(c3nccs3)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(2)22-15-5-3-13(4-6-15)16(21)19-14-7-9-20(11-14)17-18-8-10-23-17/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyNXERTQJOUZXPCQ-CQSZACIVSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144700
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
4-[(3-methylphenyl)sulfonylamino]-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875343
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (CID 99875296) is 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(c3nccs3)C2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is NXERTQJOUZXPCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)22-15-5-3-13(4-6-15)16(21)19-14-7-9-20(11-14)17-18-8-10-23-17/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 99875296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).