[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C12H19N5O2S — CID 116665678

IUPAC[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)N1CCC(O)C1
InChIInChI=1S/C12H19N5O2S/c13-7-1-3-17(5-7)12-15-10(14)9(20-12)11(19)16-4-2-8(18)6-16/h7-8,18H,1-6,13-14H2
InChIKeyZNSOXDRGNAMYEF-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.53
Rot. Bonds2

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

[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 116665678) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID116665678
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)N1CCC(O)C1
InChIInChI=1S/C12H19N5O2S/c13-7-1-3-17(5-7)12-15-10(14)9(20-12)11(19)16-4-2-8(18)6-16/h7-8,18H,1-6,13-14H2
InChIKeyZNSOXDRGNAMYEF-UHFFFAOYSA-N
XLogP-0.53
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 116667593
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663346
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 116663332
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 116674004
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 95732618
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670754
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2,2-difluoroethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116673716
[4-amino-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 116670854
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116674057

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 116665678) is [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone is Nc1nc(N2CCC(N)C2)sc1C(=O)N1CCC(O)C1.
What is the InChIKey of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is ZNSOXDRGNAMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c13-7-1-3-17(5-7)12-15-10(14)9(20-12)11(19)16-4-2-8(18)6-16/h7-8,18H,1-6,13-14H2.
What are the key properties of [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 297.38 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-aminopyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 116665678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).