N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine

C15H16N4S2 — CID 103701918

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C15H16N4S2/c1-2-12-8-18-14(21-12)9-16-7-11-10-20-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyRNBFHJZYGFDWRW-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.51
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 103701918) has the molecular formula C15H16N4S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
PubChem CID103701918
Molecular FormulaC15H16N4S2
Molecular Weight316.45 g/mol
Exact Mass316.08
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C15H16N4S2/c1-2-12-8-18-14(21-12)9-16-7-11-10-20-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3
InChIKeyRNBFHJZYGFDWRW-UHFFFAOYSA-N
XLogP3.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
2-methylsulfonyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 47267496
1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 47039005
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine (CID 103701918) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine is CCc1cnc(CNCc2csc(-c3ccccn3)n2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is RNBFHJZYGFDWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-2-12-8-18-14(21-12)9-16-7-11-10-20-15(19-11)13-5-3-4-6-17-13/h3-6,8,10,16H,2,7,9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 316.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 103701918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).