[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone

C19H22N4OS2 — CID 119424057

IUPAC[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
SMILESCc1ccccc1Nc1nc2sc(C(=O)N3CCC(CN)CC3)cc2s1
InChIInChI=1S/C19H22N4OS2/c1-12-4-2-3-5-14(12)21-19-22-17-15(26-19)10-16(25-17)18(24)23-8-6-13(11-20)7-9-23/h2-5,10,13H,6-9,11,20H2,1H3,(H,21,22)
InChIKeyWGFAXBQSTMOYNI-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.22
Rot. Bonds4

About [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone

[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone (PubChem CID 119424057) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
PubChem CID119424057
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
SMILESCc1ccccc1Nc1nc2sc(C(=O)N3CCC(CN)CC3)cc2s1
InChIInChI=1S/C19H22N4OS2/c1-12-4-2-3-5-14(12)21-19-22-17-15(26-19)10-16(25-17)18(24)23-8-6-13(11-20)7-9-23/h2-5,10,13H,6-9,11,20H2,1H3,(H,21,22)
InChIKeyWGFAXBQSTMOYNI-UHFFFAOYSA-N
XLogP4.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 75403717
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
[4-(2-aminoethyl)piperidin-1-yl]-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997411
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
1-[2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47069873
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
N-(2-methylphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187912
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
[4-(aminomethyl)piperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119423559

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone (CID 119424057) is [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone is Cc1ccccc1Nc1nc2sc(C(=O)N3CCC(CN)CC3)cc2s1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The InChIKey is WGFAXBQSTMOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-12-4-2-3-5-14(12)21-19-22-17-15(26-19)10-16(25-17)18(24)23-8-6-13(11-20)7-9-23/h2-5,10,13H,6-9,11,20H2,1H3,(H,21,22).
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
[4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone has a molecular weight of 386.55 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-[2-(2-methylanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone is sourced from PubChem (CID 119424057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).