(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

C16H27N3O2S — CID 97067014

IUPAC(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCc1nc(C)c(CCNC(=O)N2CC[C@@H](OCC(C)C)C2)s1
InChIInChI=1S/C16H27N3O2S/c1-11(2)10-21-14-6-8-19(9-14)16(20)17-7-5-15-12(3)18-13(4)22-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyKZSKVHDFKFWRJM-CQSZACIVSA-N
MW325.48 g/mol
LogP2.76
Rot. Bonds6

About (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide

(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (PubChem CID 97067014) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
PubChem CID97067014
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
SMILESCc1nc(C)c(CCNC(=O)N2CC[C@@H](OCC(C)C)C2)s1
InChIInChI=1S/C16H27N3O2S/c1-11(2)10-21-14-6-8-19(9-14)16(20)17-7-5-15-12(3)18-13(4)22-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyKZSKVHDFKFWRJM-CQSZACIVSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide (CID 97067014) is (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is Cc1nc(C)c(CCNC(=O)N2CC[C@@H](OCC(C)C)C2)s1.
What is the InChIKey of (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
The InChIKey is KZSKVHDFKFWRJM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11(2)10-21-14-6-8-19(9-14)16(20)17-7-5-15-12(3)18-13(4)22-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide?
(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97067014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).