[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C14H23N5OS — CID 120901470

IUPAC[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H23N5OS/c1-17-4-2-3-12(17)13(20)19-7-5-18(6-8-19)10-11-9-16-14(15)21-11/h9,12H,2-8,10H2,1H3,(H2,15,16)
InChIKeyXAUUROCONPMWBC-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.46
Rot. Bonds3

About [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 120901470) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
PubChem CID120901470
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C14H23N5OS/c1-17-4-2-3-12(17)13(20)19-7-5-18(6-8-19)10-11-9-16-14(15)21-11/h9,12H,2-8,10H2,1H3,(H2,15,16)
InChIKeyXAUUROCONPMWBC-UHFFFAOYSA-N
XLogP0.46
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone with MolForge

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Related Compounds

[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
CID 120903889
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120898176
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-cyclopentylethanone;hydrochloride
CID 120903273
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120898361
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 120898377

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 120901470) is [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)N1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is XAUUROCONPMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-17-4-2-3-12(17)13(20)19-7-5-18(6-8-19)10-11-9-16-14(15)21-11/h9,12H,2-8,10H2,1H3,(H2,15,16).
What are the key properties of [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 309.44 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 120901470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).