[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C18H19N5OS — CID 146108957

IUPAC[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)nc2ccccc12
InChIInChI=1S/C18H19N5OS/c1-12-9-22(7-8-23(12)17(24)16-10-25-11-19-16)18-20-13(2)14-5-3-4-6-15(14)21-18/h3-6,10-12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyBLKAVVHRSSEIBR-LBPRGKRZSA-N
MW353.45 g/mol
LogP2.75
Rot. Bonds2

About [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 146108957) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID146108957
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)nc2ccccc12
InChIInChI=1S/C18H19N5OS/c1-12-9-22(7-8-23(12)17(24)16-10-25-11-19-16)18-20-13(2)14-5-3-4-6-15(14)21-18/h3-6,10-12H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyBLKAVVHRSSEIBR-LBPRGKRZSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
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[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
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1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
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(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
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(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
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[(2R)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-phenylmethanone
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[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
2-methyl-1-[(2R)-2-methyl-4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 146108957) is [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1nc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)nc2ccccc12.
What is the InChIKey of [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is BLKAVVHRSSEIBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-9-22(7-8-23(12)17(24)16-10-25-11-19-16)18-20-13(2)14-5-3-4-6-15(14)21-18/h3-6,10-12H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 353.45 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146108957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).