(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

C17H21N5OS — CID 91632686

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cs1
InChIInChI=1S/C17H21N5OS/c1-12-18-15(11-24-12)17(23)22-8-6-21(7-9-22)16-10-13-4-2-3-5-14(13)19-20-16/h10-11H,2-9H2,1H3
InChIKeyRBCUDKRPCRVQQY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.08
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (PubChem CID 91632686) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
PubChem CID91632686
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cs1
InChIInChI=1S/C17H21N5OS/c1-12-18-15(11-24-12)17(23)22-8-6-21(7-9-22)16-10-13-4-2-3-5-14(13)19-20-16/h10-11H,2-9H2,1H3
InChIKeyRBCUDKRPCRVQQY-UHFFFAOYSA-N
XLogP2.08
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 122281417
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 122281083
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281052
1-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91818391
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
6-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122281456

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (CID 91632686) is (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is Cc1nc(C(=O)N2CCN(c3cc4c(nn3)CCCC4)CC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The InChIKey is RBCUDKRPCRVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-18-15(11-24-12)17(23)22-8-6-21(7-9-22)16-10-13-4-2-3-5-14(13)19-20-16/h10-11H,2-9H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone has a molecular weight of 343.46 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91632686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).