N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C10H6BrN3S2 — CID 175655892

IUPACN-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESBrc1csc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C10H6BrN3S2/c11-8-5-15-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5H,(H,12,13,14)
InChIKeyHJPWDKSZUKONKJ-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.26
Rot. Bonds2

About N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 175655892) has the molecular formula C10H6BrN3S2 and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID175655892
Molecular FormulaC10H6BrN3S2
Molecular Weight312.22 g/mol
Exact Mass310.92
IUPAC NameN-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESBrc1csc(Nc2nc3ccccc3s2)n1
InChIInChI=1S/C10H6BrN3S2/c11-8-5-15-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5H,(H,12,13,14)
InChIKeyHJPWDKSZUKONKJ-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-(3-bromo-2-pyridinyl)-1,3-benzothiazol-2-amine
CID 61375649
ethyl 2,2-bis[2-(1,3-benzothiazol-2-ylamino)-1,3-thiazol-4-yl]acetate
CID 59707819
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
3-(1,3-benzothiazol-2-ylamino)-5-bromobenzonitrile
CID 102815155
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-(1,3-benzothiazol-2-ylamino)-2-bromo-3-fluorobenzonitrile
CID 107533140

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 175655892) is N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is Brc1csc(Nc2nc3ccccc3s2)n1.
What is the InChIKey of N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is HJPWDKSZUKONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3S2/c11-8-5-15-9(13-8)14-10-12-6-3-1-2-4-7(6)16-10/h1-5H,(H,12,13,14).
What are the key properties of N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 312.22 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 175655892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).