N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine

C18H25N3S — CID 154775767

IUPACN-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESCC(NCc1cnccc1C(C)(C)C)c1nc2c(s1)CCC2
InChIInChI=1S/C18H25N3S/c1-12(17-21-15-6-5-7-16(15)22-17)20-11-13-10-19-9-8-14(13)18(2,3)4/h8-10,12,20H,5-7,11H2,1-4H3
InChIKeyUMNLOXRCPXZJSY-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.18
Rot. Bonds4

About N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine

N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine (PubChem CID 154775767) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
PubChem CID154775767
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
SMILESCC(NCc1cnccc1C(C)(C)C)c1nc2c(s1)CCC2
InChIInChI=1S/C18H25N3S/c1-12(17-21-15-6-5-7-16(15)22-17)20-11-13-10-19-9-8-14(13)18(2,3)4/h8-10,12,20H,5-7,11H2,1-4H3
InChIKeyUMNLOXRCPXZJSY-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine (CID 154775767) is N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine is CC(NCc1cnccc1C(C)(C)C)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is UMNLOXRCPXZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-12(17-21-15-6-5-7-16(15)22-17)20-11-13-10-19-9-8-14(13)18(2,3)4/h8-10,12,20H,5-7,11H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine?
N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 315.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-3-pyridinyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 154775767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).