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

C12H20N4OS2 — CID 116669102

IUPAC[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N2CCSCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-12(2,3)15-11-14-9(13)8(19-11)10(17)16-4-6-18-7-5-16/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyLDMFGCDRMWVBSY-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.12
Rot. Bonds2

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

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 116669102) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID116669102
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)N2CCSCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-12(2,3)15-11-14-9(13)8(19-11)10(17)16-4-6-18-7-5-16/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyLDMFGCDRMWVBSY-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 116667391
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methylthiomorpholin-4-yl)methanone
CID 116666635
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663178
[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-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-(cyclopropylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663176
4-amino-2-(tert-butylamino)-N-(thian-4-yl)-1,3-thiazole-5-carboxamide
CID 116673551
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 116665237
[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

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (CID 116669102) is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is CC(C)(C)Nc1nc(N)c(C(=O)N2CCSCC2)s1.
What is the InChIKey of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is LDMFGCDRMWVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-12(2,3)15-11-14-9(13)8(19-11)10(17)16-4-6-18-7-5-16/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 116669102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).