1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

C9H15N3OS — CID 973710

IUPAC1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCNc1nc(N)c(C(=O)C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)6(13)5-7(10)12-8(11-4)14-5/h10H2,1-4H3,(H,11,12)
InChIKeyXSDKNOYDEMFNSY-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.00
Rot. Bonds2

About 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 973710) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID973710
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCNc1nc(N)c(C(=O)C(C)(C)C)s1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)6(13)5-7(10)12-8(11-4)14-5/h10H2,1-4H3,(H,11,12)
InChIKeyXSDKNOYDEMFNSY-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-Dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
CID 1485904
1-(4-Amino-2-ethylamino-thiazol-5-yl)-ethanone
CID 4778810
1-[4-Amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
CID 4712067
1-[4-Amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-3-methylbutan-1-one
CID 155532827
1-[[4-Amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 2805186
Antitrypanosomal agent 14
CID 71733212
1-[4-Amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 172464287
5-Acetyl-4-dimethylamino-2-methylaminothiazole
CID 13118847
1-[4-Amino-2-(methylamino)-1,3-thiazol-5-yl]ethanone
CID 1502231
1-[4-Amino-2-(isopropylamino)-1,3-thiazol-5-yl]ethanone
CID 42647777
[4-Amino-2-(3-aminopropylamino)thiazol-5-yl]cyclopropylmethanone
CID 9859591
2,2-Dimethyl-1-[2-(propylamino)-1,3-thiazol-5-yl]propan-1-one
CID 57953892

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (CID 973710) is 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is CNc1nc(N)c(C(=O)C(C)(C)C)s1.
What is the InChIKey of 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is XSDKNOYDEMFNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3)6(13)5-7(10)12-8(11-4)14-5/h10H2,1-4H3,(H,11,12).
What are the key properties of 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 213.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 973710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).