(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

C20H23N5S — CID 29086175

IUPAC(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C20H23N5S/c1-2-9-18-16(6-1)24-20(26-18)13-22-15-7-5-8-17-14(15)12-23-25(17)19-10-3-4-11-21-19/h3-4,10-12,15,22H,1-2,5-9,13H2/t15-/m0/s1
InChIKeyDCDSCZIDPKZXBB-HNNXBMFYSA-N
MW365.51 g/mol
LogP3.77
Rot. Bonds4

About (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 29086175) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID29086175
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCC[C@@H]3NCc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C20H23N5S/c1-2-9-18-16(6-1)24-20(26-18)13-22-15-7-5-8-17-14(15)12-23-25(17)19-10-3-4-11-21-19/h3-4,10-12,15,22H,1-2,5-9,13H2/t15-/m0/s1
InChIKeyDCDSCZIDPKZXBB-HNNXBMFYSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
(4S)-N-[(3-methylsulfanylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42517960
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
(4R)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42293274
2-methyl-4-[4-[[[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenyl]but-3-yn-2-ol
CID 42530705
(4S)-N-[[3-(furan-2-yl)phenyl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42197780
N-[(6-chloroquinolin-2-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45238028
(4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42591832

Frequently Asked Questions

What is the IUPAC name of (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 29086175) is (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is c1ccc(-n2ncc3c2CCC[C@@H]3NCc2nc3c(s2)CCCC3)nc1.
What is the InChIKey of (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DCDSCZIDPKZXBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-2-9-18-16(6-1)24-20(26-18)13-22-15-7-5-8-17-14(15)12-23-25(17)19-10-3-4-11-21-19/h3-4,10-12,15,22H,1-2,5-9,13H2/t15-/m0/s1.
What are the key properties of (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 365.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 29086175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).