[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone

C12H20N4OS2 — CID 116663178

IUPAC[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCCSCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-2-4-14-12-15-10(13)9(19-12)11(17)16-5-3-7-18-8-6-16/h2-8,13H2,1H3,(H,14,15)
InChIKeyIEAXTRZAYJCUPV-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.13
Rot. Bonds4

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

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone (PubChem CID 116663178) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
PubChem CID116663178
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
SMILESCCCNc1nc(N)c(C(=O)N2CCCSCC2)s1
InChIInChI=1S/C12H20N4OS2/c1-2-4-14-12-15-10(13)9(19-12)11(17)16-5-3-7-18-8-6-16/h2-8,13H2,1H3,(H,14,15)
InChIKeyIEAXTRZAYJCUPV-UHFFFAOYSA-N
XLogP2.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666691
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663176
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 116669102
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106317405
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114414561
[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]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 116673418
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667409
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670409
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 116668333

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone?
The IUPAC name of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone (CID 116663178) is [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone is CCCNc1nc(N)c(C(=O)N2CCCSCC2)s1.
What is the InChIKey of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone?
The InChIKey is IEAXTRZAYJCUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-2-4-14-12-15-10(13)9(19-12)11(17)16-5-3-7-18-8-6-16/h2-8,13H2,1H3,(H,14,15).
What are the key properties of [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone?
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 116663178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).