(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone

C19H26N4OS — CID 56716908

IUPAC(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCNCC3)CC2)cc2sc(N)nc12
InChIInChI=1S/C19H26N4OS/c1-13-11-14(12-15-16(13)22-18(20)25-15)17(24)23-9-2-3-19(6-10-23)4-7-21-8-5-19/h11-12,21H,2-10H2,1H3,(H2,20,22)
InChIKeyQPTQXDDUJDOHAS-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.18
Rot. Bonds1

About (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone

(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone (PubChem CID 56716908) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone
PubChem CID56716908
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCNCC3)CC2)cc2sc(N)nc12
InChIInChI=1S/C19H26N4OS/c1-13-11-14(12-15-16(13)22-18(20)25-15)17(24)23-9-2-3-19(6-10-23)4-7-21-8-5-19/h11-12,21H,2-10H2,1H3,(H2,20,22)
InChIKeyQPTQXDDUJDOHAS-UHFFFAOYSA-N
XLogP3.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 56745221
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
CID 28689590
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70748965
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645008
3-[(3R)-1-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97199858
6-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 154885799
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
CID 119073263
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[(5R)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95216869
5-(3,9-diazaspiro[5.6]dodecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 154891284
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 125443768

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone (CID 56716908) is (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone is Cc1cc(C(=O)N2CCCC3(CCNCC3)CC2)cc2sc(N)nc12.
What is the InChIKey of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
The InChIKey is QPTQXDDUJDOHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-11-14(12-15-16(13)22-18(20)25-15)17(24)23-9-2-3-19(6-10-23)4-7-21-8-5-19/h11-12,21H,2-10H2,1H3,(H2,20,22).
What are the key properties of (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone?
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone has a molecular weight of 358.51 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-benzothiazol-6-yl)-(3,9-diazaspiro[5.6]dodecan-9-yl)methanone is sourced from PubChem (CID 56716908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).