N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

C13H18N2S2 — CID 43682794

IUPACN-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC(C)C(C)C)cc2s1
InChIInChI=1S/C13H18N2S2/c1-8(2)9(3)14-10-5-6-11-12(7-10)17-13(15-11)16-4/h5-9,14H,1-4H3
InChIKeyPJJFHBKXEADTBL-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.47
Rot. Bonds4

About N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 43682794) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID43682794
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC(C)C(C)C)cc2s1
InChIInChI=1S/C13H18N2S2/c1-8(2)9(3)14-10-5-6-11-12(7-10)17-13(15-11)16-4/h5-9,14H,1-4H3
InChIKeyPJJFHBKXEADTBL-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62535066
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-6-amine
CID 43682798
2-methylsulfanyl-N-octan-2-yl-1,3-benzothiazol-6-amine
CID 63426863
3-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 43682811
N-(2,2-dimethoxyethyl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55233662
(2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 32554657
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
3-chloro-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propane-1-sulfonamide
CID 79585484
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 43682794) is N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is CSc1nc2ccc(NC(C)C(C)C)cc2s1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is PJJFHBKXEADTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-8(2)9(3)14-10-5-6-11-12(7-10)17-13(15-11)16-4/h5-9,14H,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 266.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).