(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C18H21N5OS — CID 70748965

IUPAC(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3C)CC2)cc2sc(N)nc12
InChIInChI=1S/C18H21N5OS/c1-11-9-13(10-14-15(11)21-18(19)25-14)17(24)23-6-3-12(4-7-23)16-20-5-8-22(16)2/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,19,21)
InChIKeyUFNOJSCMRMSUOF-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.94
Rot. Bonds2

About (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 70748965) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID70748965
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nccn3C)CC2)cc2sc(N)nc12
InChIInChI=1S/C18H21N5OS/c1-11-9-13(10-14-15(11)21-18(19)25-14)17(24)23-6-3-12(4-7-23)16-20-5-8-22(16)2/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,19,21)
InChIKeyUFNOJSCMRMSUOF-UHFFFAOYSA-N
XLogP2.94
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-4-methyl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
CID 28689590
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone
CID 56716908
3-[(3R)-1-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97199858
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 70788203
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645008
2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72872009
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70710948
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 70748965) is (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nccn3C)CC2)cc2sc(N)nc12.
What is the InChIKey of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UFNOJSCMRMSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11-9-13(10-14-15(11)21-18(19)25-14)17(24)23-6-3-12(4-7-23)16-20-5-8-22(16)2/h5,8-10,12H,3-4,6-7H2,1-2H3,(H2,19,21).
What are the key properties of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 355.47 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70748965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).