N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

C14H21N3S2 — CID 170759450

IUPACN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cnc([C@@H](C)NC(C)c2cnc(C(C)C)s2)s1
InChIInChI=1S/C14H21N3S2/c1-8(2)13-16-7-12(19-13)10(4)17-11(5)14-15-6-9(3)18-14/h6-8,10-11,17H,1-5H3/t10?,11-/m1/s1
InChIKeyFNHGIWPJMCMOIZ-RRKGBCIJSA-N
MW295.48 g/mol
LogP4.44
Rot. Bonds5

About N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 170759450) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID170759450
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cnc([C@@H](C)NC(C)c2cnc(C(C)C)s2)s1
InChIInChI=1S/C14H21N3S2/c1-8(2)13-16-7-12(19-13)10(4)17-11(5)14-15-6-9(3)18-14/h6-8,10-11,17H,1-5H3/t10?,11-/m1/s1
InChIKeyFNHGIWPJMCMOIZ-RRKGBCIJSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (CID 170759450) is N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is Cc1cnc([C@@H](C)NC(C)c2cnc(C(C)C)s2)s1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FNHGIWPJMCMOIZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-8(2)13-16-7-12(19-13)10(4)17-11(5)14-15-6-9(3)18-14/h6-8,10-11,17H,1-5H3/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 295.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 170759450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).