N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

C24H27N5O3S — CID 69377394

IUPACN-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.c1nc2cc(CNC3CCCCC3)ccc2s1
InChIInChI=1S/C14H18N2S.C10H9N3O3/c1-2-4-12(5-3-1)15-9-11-6-7-14-13(8-11)16-10-17-14;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,10,12,15H,1-5,9H2;2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyVKKCGBRSCQPEKZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.45
Rot. Bonds5

About N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid

N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (PubChem CID 69377394) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
PubChem CID69377394
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
SMILESCOc1ccc2nccc(NC(=O)O)c2n1.c1nc2cc(CNC3CCCCC3)ccc2s1
InChIInChI=1S/C14H18N2S.C10H9N3O3/c1-2-4-12(5-3-1)15-9-11-6-7-14-13(8-11)16-10-17-14;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,10,12,15H,1-5,9H2;2-5H,1H3,(H,11,12)(H,14,15)
InChIKeyVKKCGBRSCQPEKZ-UHFFFAOYSA-N
XLogP5.45
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
CID 11948377
6-{[2-(6-methoxy-[1,5]naphthyridin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamino]-methyl}-4H-benzo[1,4]thiazin-3-one
CID 11948382
7-fluoro-6-[[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 11948381
N-(1,3-benzothiazol-5-ylmethyl)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
CID 69656703
7-fluoro-6-[[[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-1,4-benzothiazin-3-one
CID 143159664
6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)triazol-4-yl]ethylamino]methyl]-4H-1,4-benzothiazin-3-one
CID 172876322
2,8-Bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine
CID 155809265
4-(1,3-benzothiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10321400
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-([1,3]thiazolo[5,4-b]pyridin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 10366416
4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10388977
6-({Benzyl-[2-(6-methoxy-[1,5]naphthyridin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]amino}-methyl)-4H-benzo[1,4]thiazin-3-one
CID 11948472
[[2-(6-Methoxy-[1,5]naphthyridin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-(3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-6-ylmethyl)-amino]-acetic acid
CID 11948474

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The IUPAC name of N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid (CID 69377394) is N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid.
What is the SMILES notation for N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The canonical SMILES for N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is COc1ccc2nccc(NC(=O)O)c2n1.c1nc2cc(CNC3CCCCC3)ccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
The InChIKey is VKKCGBRSCQPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.C10H9N3O3/c1-2-4-12(5-3-1)15-9-11-6-7-14-13(8-11)16-10-17-14;1-16-8-3-2-6-9(13-8)7(4-5-11-6)12-10(14)15/h6-8,10,12,15H,1-5,9H2;2-5H,1H3,(H,11,12)(H,14,15).
What are the key properties of N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid?
N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid has a molecular weight of 465.58 g/mol, XLogP of 5.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-ylmethyl)cyclohexanamine;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid is sourced from PubChem (CID 69377394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).