(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide

C14H23N3OS — CID 128550376

IUPAC(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)[C@@H]2CNC[C@H]2C)s1
InChIInChI=1S/C14H23N3OS/c1-8(2)5-12-14(19-10(4)16-12)17-13(18)11-7-15-6-9(11)3/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m1/s1
InChIKeyIBOPERCKLJUQRP-MWLCHTKSSA-N
MW281.42 g/mol
LogP2.44
Rot. Bonds4

About (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 128550376) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID128550376
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)[C@@H]2CNC[C@H]2C)s1
InChIInChI=1S/C14H23N3OS/c1-8(2)5-12-14(19-10(4)16-12)17-13(18)11-7-15-6-9(11)3/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m1/s1
InChIKeyIBOPERCKLJUQRP-MWLCHTKSSA-N
XLogP2.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (CID 128550376) is (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide is Cc1nc(CC(C)C)c(NC(=O)[C@@H]2CNC[C@H]2C)s1.
What is the InChIKey of (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is IBOPERCKLJUQRP-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8(2)5-12-14(19-10(4)16-12)17-13(18)11-7-15-6-9(11)3/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)/t9-,11-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 128550376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).