(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C17H26N4S — CID 95778624

IUPAC(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@H]2NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H26N4S/c1-5-21-15-8-6-7-14(13(15)11-20-21)18-9-12-10-19-16(22-12)17(2,3)4/h10-11,14,18H,5-9H2,1-4H3/t14-/m1/s1
InChIKeyVHGZHRRKPINIOV-CQSZACIVSA-N
MW318.49 g/mol
LogP3.82
Rot. Bonds4

About (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 95778624) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID95778624
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@H]2NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H26N4S/c1-5-21-15-8-6-7-14(13(15)11-20-21)18-9-12-10-19-16(22-12)17(2,3)4/h10-11,14,18H,5-9H2,1-4H3/t14-/m1/s1
InChIKeyVHGZHRRKPINIOV-CQSZACIVSA-N
XLogP3.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4R)-1-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 95778690
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778566
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
(4S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778611
(4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778561
(4S)-1-ethyl-N-[(4-methoxy-3-propoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778587
(4S)-N-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95779923
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 63121163
(4S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778593

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 95778624) is (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCn1ncc2c1CCC[C@H]2NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VHGZHRRKPINIOV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4S/c1-5-21-15-8-6-7-14(13(15)11-20-21)18-9-12-10-19-16(22-12)17(2,3)4/h10-11,14,18H,5-9H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 318.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 95778624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).