5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine

C11H8BrClN4S — CID 168582775

IUPAC5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
SMILESClc1ncc(CNc2cc3[nH]ncc3cc2Br)s1
InChIInChI=1S/C11H8BrClN4S/c12-8-1-6-3-16-17-9(6)2-10(8)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17)
InChIKeyKXFXPXIYVHNBSU-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine

5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine (PubChem CID 168582775) has the molecular formula C11H8BrClN4S and a molecular weight of 343.64 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
PubChem CID168582775
Molecular FormulaC11H8BrClN4S
Molecular Weight343.64 g/mol
Exact Mass341.93
IUPAC Name5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
SMILESClc1ncc(CNc2cc3[nH]ncc3cc2Br)s1
InChIInChI=1S/C11H8BrClN4S/c12-8-1-6-3-16-17-9(6)2-10(8)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17)
InChIKeyKXFXPXIYVHNBSU-UHFFFAOYSA-N
XLogP4.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-4-iodoaniline
CID 168583459
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
2,4-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethylaniline
CID 168579882
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-iodo-3-methylaniline
CID 168582754
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 168583195
methyl 4-bromo-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrobenzoate
CID 168579966
N-(5-bromo-1H-indazol-6-yl)formamide
CID 168653243
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
CID 171644777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The IUPAC name of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine (CID 168582775) is 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The canonical SMILES for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine is Clc1ncc(CNc2cc3[nH]ncc3cc2Br)s1.
What is the InChIKey of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
The InChIKey is KXFXPXIYVHNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4S/c12-8-1-6-3-16-17-9(6)2-10(8)14-4-7-5-15-11(13)18-7/h1-3,5,14H,4H2,(H,16,17).
What are the key properties of 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine?
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine has a molecular weight of 343.64 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 168582775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).