[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C12H20N4OS — CID 116667409

IUPAC[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)15-11-14-9(13)8(18-11)10(17)16-6-4-5-7-16/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyDBTWUUORVJOUTK-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.17
Rot. Bonds2

About [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 116667409) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID116667409
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)15-11-14-9(13)8(18-11)10(17)16-6-4-5-7-16/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyDBTWUUORVJOUTK-UHFFFAOYSA-N
XLogP2.17
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 116669102
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 116667391
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102971716
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-ethylpiperidin-1-yl)methanone
CID 116670390
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 116665237
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-propylpyrrolidin-1-yl)methanone
CID 116672456
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666635
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 116667409) is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)Nc1nc(N)c(C(=O)N2CCCC2)s1.
What is the InChIKey of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DBTWUUORVJOUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)15-11-14-9(13)8(18-11)10(17)16-6-4-5-7-16/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 268.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 116667409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).