[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C16H25N5O2S — CID 95728739

IUPAC[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)Cc1nc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cs1
InChIInChI=1S/C16H25N5O2S/c1-19(2)10-14-18-12(11-24-14)15(22)21-8-5-17-9-13(21)16(23)20-6-3-4-7-20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyTZEIUNMGSKAHCG-ZDUSSCGKSA-N
MW351.48 g/mol
LogP0.24
Rot. Bonds4

About [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95728739) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95728739
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(C)Cc1nc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cs1
InChIInChI=1S/C16H25N5O2S/c1-19(2)10-14-18-12(11-24-14)15(22)21-8-5-17-9-13(21)16(23)20-6-3-4-7-20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyTZEIUNMGSKAHCG-ZDUSSCGKSA-N
XLogP0.24
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274
N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
CID 95723230
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-(6-hydroxy-4-methyl-1,4-diazepan-1-yl)methanone
CID 74237340
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 72888682
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S,4R)-4-hydroxy-3,4-dimethylpiperidin-1-yl]methanone
CID 133112216
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 96576627
[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 166261382
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanone
CID 72912973
(4-methylpiperazin-1-yl)-[1-(quinoline-2-carbonyl)piperazin-2-yl]methanone
CID 56894793
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95728739) is [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is CN(C)Cc1nc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cs1.
What is the InChIKey of [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TZEIUNMGSKAHCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-19(2)10-14-18-12(11-24-14)15(22)21-8-5-17-9-13(21)16(23)20-6-3-4-7-20/h11,13,17H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 351.48 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95728739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).