N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine

C19H25N5S — CID 86845327

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3cnc(C(C)(C)C)s3)cn2)n1
InChIInChI=1S/C19H25N5S/c1-13-8-14(2)24(23-13)17-7-6-15(10-21-17)9-20-11-16-12-22-18(25-16)19(3,4)5/h6-8,10,12,20H,9,11H2,1-5H3
InChIKeySIUCLCFGWQHBHI-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.93
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 86845327) has the molecular formula C19H25N5S and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
PubChem CID86845327
Molecular FormulaC19H25N5S
Molecular Weight355.51 g/mol
Exact Mass355.18
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3cnc(C(C)(C)C)s3)cn2)n1
InChIInChI=1S/C19H25N5S/c1-13-8-14(2)24(23-13)17-7-6-15(10-21-17)9-20-11-16-12-22-18(25-16)19(3,4)5/h6-8,10,12,20H,9,11H2,1-5H3
InChIKeySIUCLCFGWQHBHI-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-[3-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 78895354
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482153
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylmethanamine
CID 63032797
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969794
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836143
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318404
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
CID 95974510
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3,5-difluorobenzenesulfonamide
CID 47065133

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine (CID 86845327) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine is Cc1cc(C)n(-c2ccc(CNCc3cnc(C(C)(C)C)s3)cn2)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is SIUCLCFGWQHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5S/c1-13-8-14(2)24(23-13)17-7-6-15(10-21-17)9-20-11-16-12-22-18(25-16)19(3,4)5/h6-8,10,12,20H,9,11H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 355.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 86845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).