N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine

C11H10N4S — CID 60696868

IUPACN-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
SMILESc1nc(CNc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C11H10N4S/c1-2-11-8(4-14-15-11)3-9(1)12-5-10-6-16-7-13-10/h1-4,6-7,12H,5H2,(H,14,15)
InChIKeyPKBBZHPOVDEZMN-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.63
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine

N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine (PubChem CID 60696868) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
PubChem CID60696868
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
SMILESc1nc(CNc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C11H10N4S/c1-2-11-8(4-14-15-11)3-9(1)12-5-10-6-16-7-13-10/h1-4,6-7,12H,5H2,(H,14,15)
InChIKeyPKBBZHPOVDEZMN-UHFFFAOYSA-N
XLogP2.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1H-indazol-6-amine
CID 171644777
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
CID 62699427
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine (CID 60696868) is N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine is c1nc(CNc2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine?
The InChIKey is PKBBZHPOVDEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-2-11-8(4-14-15-11)3-9(1)12-5-10-6-16-7-13-10/h1-4,6-7,12H,5H2,(H,14,15).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine?
N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine has a molecular weight of 230.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine is sourced from PubChem (CID 60696868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).