N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine

C17H24N4OS — CID 75432030

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESCC(C)(C)c1nc(CNc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)16-20-13(12-23-16)11-19-14-5-4-6-18-15(14)21-7-9-22-10-8-21/h4-6,12,19H,7-11H2,1-3H3
InChIKeyMDSMRWZWBFRTMQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.28
Rot. Bonds4

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine (PubChem CID 75432030) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
PubChem CID75432030
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESCC(C)(C)c1nc(CNc2cccnc2N2CCOCC2)cs1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)16-20-13(12-23-16)11-19-14-5-4-6-18-15(14)21-7-9-22-10-8-21/h4-6,12,19H,7-11H2,1-3H3
InChIKeyMDSMRWZWBFRTMQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine (CID 75432030) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine is CC(C)(C)c1nc(CNc2cccnc2N2CCOCC2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The InChIKey is MDSMRWZWBFRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-17(2,3)16-20-13(12-23-16)11-19-14-5-4-6-18-15(14)21-7-9-22-10-8-21/h4-6,12,19H,7-11H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine has a molecular weight of 332.47 g/mol, XLogP of 3.28, 4 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-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 75432030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).