N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H23N3O2S2 — CID 97352784

IUPACN-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN(C)[C@@H](C)C[S@](C)=O)cs1)C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-10(9-21(4)19)16(3)7-12-8-20-14(15-12)17(11(2)18)13-5-6-13/h8,10,13H,5-7,9H2,1-4H3/t10-,21-/m0/s1
InChIKeySYLYNJBTFJZBOS-CWKPULSASA-N
MW329.49 g/mol
LogP1.86
Rot. Bonds7

About N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 97352784) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID97352784
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN(C)[C@@H](C)C[S@](C)=O)cs1)C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-10(9-21(4)19)16(3)7-12-8-20-14(15-12)17(11(2)18)13-5-6-13/h8,10,13H,5-7,9H2,1-4H3/t10-,21-/m0/s1
InChIKeySYLYNJBTFJZBOS-CWKPULSASA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 97352784) is N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN(C)[C@@H](C)C[S@](C)=O)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SYLYNJBTFJZBOS-CWKPULSASA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-10(9-21(4)19)16(3)7-12-8-20-14(15-12)17(11(2)18)13-5-6-13/h8,10,13H,5-7,9H2,1-4H3/t10-,21-/m0/s1.
What are the key properties of N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 97352784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).