N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide

C18H17N3O2S2 — CID 24636449

IUPACN-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCSc1nc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C18H17N3O2S2/c1-11(19-17(23)12-6-4-3-5-7-12)16(22)20-13-8-9-14-15(10-13)25-18(21-14)24-2/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyFUAOSMXJQKJMGP-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide

N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 24636449) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID24636449
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCSc1nc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C18H17N3O2S2/c1-11(19-17(23)12-6-4-3-5-7-12)16(22)20-13-8-9-14-15(10-13)25-18(21-14)24-2/h3-11H,1-2H3,(H,19,23)(H,20,22)
InChIKeyFUAOSMXJQKJMGP-UHFFFAOYSA-N
XLogP3.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
(2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 32554657
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 937136
5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
CID 104683865
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
CID 60853488

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide (CID 24636449) is N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide is CSc1nc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2s1.
What is the InChIKey of N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FUAOSMXJQKJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11(19-17(23)12-6-4-3-5-7-12)16(22)20-13-8-9-14-15(10-13)25-18(21-14)24-2/h3-11H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide?
N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 371.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24636449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).