1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one

C10H14N4OS — CID 170582449

IUPAC1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCc1nc(-c2[nH][nH]c2N)sc1C(=O)C(C)C
InChIInChI=1S/C10H14N4OS/c1-4(2)7(15)8-5(3)12-10(16-8)6-9(11)14-13-6/h4,13-14H,11H2,1-3H3
InChIKeyCASQCOFKUSJCRL-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one

1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one (PubChem CID 170582449) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
PubChem CID170582449
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCc1nc(-c2[nH][nH]c2N)sc1C(=O)C(C)C
InChIInChI=1S/C10H14N4OS/c1-4(2)7(15)8-5(3)12-10(16-8)6-9(11)14-13-6/h4,13-14H,11H2,1-3H3
InChIKeyCASQCOFKUSJCRL-UHFFFAOYSA-N
XLogP2.20
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 170521186
1-(2-chloro-4-methyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 171593762
1-[3-amino-5-(methylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103424271
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
2-methyl-1-(2-methyl-4-propan-2-yloxy-1,3-thiazol-5-yl)propan-1-one
CID 59718727
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840
2-[4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68797629
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673394
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one (CID 170582449) is 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one is Cc1nc(-c2[nH][nH]c2N)sc1C(=O)C(C)C.
What is the InChIKey of 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The InChIKey is CASQCOFKUSJCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-4(2)7(15)8-5(3)12-10(16-8)6-9(11)14-13-6/h4,13-14H,11H2,1-3H3.
What are the key properties of 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one?
1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one has a molecular weight of 238.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-1,2-dihydrodiazet-3-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 170582449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).