N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine

C11H10N4S — CID 47470237

IUPACN-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1[nH]ncc1Nc1nc2ccccc2s1
InChIInChI=1S/C11H10N4S/c1-7-9(6-12-15-7)14-11-13-8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyXYRYMRHRBIROKY-UHFFFAOYSA-N
MW230.30 g/mol
LogP3.07
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine

N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 47470237) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID47470237
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1[nH]ncc1Nc1nc2ccccc2s1
InChIInChI=1S/C11H10N4S/c1-7-9(6-12-15-7)14-11-13-8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyXYRYMRHRBIROKY-UHFFFAOYSA-N
XLogP3.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
CID 155348789
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54896322
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
N-tert-butyl-1,3-benzothiazol-2-amine;ethane
CID 157105322
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
CID 174676859
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 47470237) is N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine is Cc1[nH]ncc1Nc1nc2ccccc2s1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XYRYMRHRBIROKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-9(6-12-15-7)14-11-13-8-4-2-3-5-10(8)16-11/h2-6H,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 230.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 47470237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).