N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H16N4OS2 — CID 138003509

IUPACN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)N[C@H]2CCc3nc(N)sc3C2)s1
InChIInChI=1S/C13H16N4OS2/c1-7-6-15-12(19-7)5-11(18)16-8-2-3-9-10(4-8)20-13(14)17-9/h6,8H,2-5H2,1H3,(H2,14,17)(H,16,18)/t8-/m0/s1
InChIKeyWJIIIYCOAWIQNR-QMMMGPOBSA-N
MW308.43 g/mol
LogP1.71
Rot. Bonds3

About N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 138003509) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID138003509
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)N[C@H]2CCc3nc(N)sc3C2)s1
InChIInChI=1S/C13H16N4OS2/c1-7-6-15-12(19-7)5-11(18)16-8-2-3-9-10(4-8)20-13(14)17-9/h6,8H,2-5H2,1H3,(H2,14,17)(H,16,18)/t8-/m0/s1
InChIKeyWJIIIYCOAWIQNR-QMMMGPOBSA-N
XLogP1.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110866748
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
CID 155952110
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
CID 166318457
N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
CID 66614061
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 138003501
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
CID 154730531
(2R,3R)-2,3-dihydroxybutanedioic acid;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 10294259
bis((E)-but-2-enedioic acid);6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 137395465

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 138003509) is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(CC(=O)N[C@H]2CCc3nc(N)sc3C2)s1.
What is the InChIKey of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WJIIIYCOAWIQNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-7-6-15-12(19-7)5-11(18)16-8-2-3-9-10(4-8)20-13(14)17-9/h6,8H,2-5H2,1H3,(H2,14,17)(H,16,18)/t8-/m0/s1.
What are the key properties of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 138003509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).