N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C15H24N4OS — CID 60979385

IUPACN-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCC(C3CCCN3)C2)cs1
InChIInChI=1S/C15H24N4OS/c1-11(20)17-15-18-13(10-21-15)9-19-7-3-4-12(8-19)14-5-2-6-16-14/h10,12,14,16H,2-9H2,1H3,(H,17,18,20)
InChIKeyAIIDPIYKGLAKFD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.07
Rot. Bonds4

About N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 60979385) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID60979385
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCC(C3CCCN3)C2)cs1
InChIInChI=1S/C15H24N4OS/c1-11(20)17-15-18-13(10-21-15)9-19-7-3-4-12(8-19)14-5-2-6-16-14/h10,12,14,16H,2-9H2,1H3,(H,17,18,20)
InChIKeyAIIDPIYKGLAKFD-UHFFFAOYSA-N
XLogP2.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 102683011
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
CID 51860796
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 114961490
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 60979385) is N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCCC(C3CCCN3)C2)cs1.
What is the InChIKey of N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AIIDPIYKGLAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(20)17-15-18-13(10-21-15)9-19-7-3-4-12(8-19)14-5-2-6-16-14/h10,12,14,16H,2-9H2,1H3,(H,17,18,20).
What are the key properties of N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 60979385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).