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

C14H23N5OS — CID 116670854

IUPAC[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc(N3CCN(C)CC3)nc2N)C1
InChIInChI=1S/C14H23N5OS/c1-10-3-4-19(9-10)13(20)11-12(15)16-14(21-11)18-7-5-17(2)6-8-18/h10H,3-9,15H2,1-2H3
InChIKeyFWXMSICXJBMJTE-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.96
Rot. Bonds2

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

[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 116670854) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID116670854
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc(N3CCN(C)CC3)nc2N)C1
InChIInChI=1S/C14H23N5OS/c1-10-3-4-19(9-10)13(20)11-12(15)16-14(21-11)18-7-5-17(2)6-8-18/h10H,3-9,15H2,1-2H3
InChIKeyFWXMSICXJBMJTE-UHFFFAOYSA-N
XLogP0.96
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 116667593
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 116665678
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
4-amino-2-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667677

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 116670854) is [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2sc(N3CCN(C)CC3)nc2N)C1.
What is the InChIKey of [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is FWXMSICXJBMJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10-3-4-19(9-10)13(20)11-12(15)16-14(21-11)18-7-5-17(2)6-8-18/h10H,3-9,15H2,1-2H3.
What are the key properties of [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone?
[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 309.44 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116670854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).