N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

C17H30N4OS — CID 118795070

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCc1nc(CCCNC(=O)CCN(C)C2CCN(C)C2)sc1C
InChIInChI=1S/C17H30N4OS/c1-13-14(2)23-17(19-13)6-5-9-18-16(22)8-11-21(4)15-7-10-20(3)12-15/h15H,5-12H2,1-4H3,(H,18,22)
InChIKeyYZTFILAOEBGMGY-UHFFFAOYSA-N
MW338.52 g/mol
LogP1.83
Rot. Bonds8

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (PubChem CID 118795070) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
PubChem CID118795070
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCc1nc(CCCNC(=O)CCN(C)C2CCN(C)C2)sc1C
InChIInChI=1S/C17H30N4OS/c1-13-14(2)23-17(19-13)6-5-9-18-16(22)8-11-21(4)15-7-10-20(3)12-15/h15H,5-12H2,1-4H3,(H,18,22)
InChIKeyYZTFILAOEBGMGY-UHFFFAOYSA-N
XLogP1.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47076990
2-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 49506769
1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70712693
1-tert-butyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70732417
1-tert-butyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70733264
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 70771582
1-cyclopentyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 72846449
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-5-oxo-3-pyrrolidinecarboxamide
CID 72855638
2-cyano-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 71684258
N-cyclopentyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]propanamide
CID 72116610
N~2~-[(dimethylamino)carbonyl]-N~1~-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]glycinamide
CID 77089756
1-[2-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]pyrrolidine-2,5-dione
CID 84591263

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (CID 118795070) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is Cc1nc(CCCNC(=O)CCN(C)C2CCN(C)C2)sc1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The InChIKey is YZTFILAOEBGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-13-14(2)23-17(19-13)6-5-9-18-16(22)8-11-21(4)15-7-10-20(3)12-15/h15H,5-12H2,1-4H3,(H,18,22).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide has a molecular weight of 338.52 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 118795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).