3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide

C20H34N4O2S — CID 4278865

IUPAC3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCc1nc(NC(=O)CN(CCCN(C)C)C(=O)CCC2CCCC2)sc1C
InChIInChI=1S/C20H34N4O2S/c1-15-16(2)27-20(21-15)22-18(25)14-24(13-7-12-23(3)4)19(26)11-10-17-8-5-6-9-17/h17H,5-14H2,1-4H3,(H,21,22,25)
InChIKeyUBGZTGNQPXRQIS-UHFFFAOYSA-N
MW394.59 g/mol
LogP3.45
Rot. Bonds10

About 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide

3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide (PubChem CID 4278865) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
PubChem CID4278865
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCc1nc(NC(=O)CN(CCCN(C)C)C(=O)CCC2CCCC2)sc1C
InChIInChI=1S/C20H34N4O2S/c1-15-16(2)27-20(21-15)22-18(25)14-24(13-7-12-23(3)4)19(26)11-10-17-8-5-6-9-17/h17H,5-14H2,1-4H3,(H,21,22,25)
InChIKeyUBGZTGNQPXRQIS-UHFFFAOYSA-N
XLogP3.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide (CID 4278865) is 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide is Cc1nc(NC(=O)CN(CCCN(C)C)C(=O)CCC2CCCC2)sc1C.
What is the InChIKey of 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is UBGZTGNQPXRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-15-16(2)27-20(21-15)22-18(25)14-24(13-7-12-23(3)4)19(26)11-10-17-8-5-6-9-17/h17H,5-14H2,1-4H3,(H,21,22,25).
What are the key properties of 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 394.59 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 4278865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).