5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane

C21H29N5S — CID 162688437

IUPAC5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane
SMILESC.C=C(C)Nc1nc(-c2cccc(C)c2)c(-c2cc(C)nc(N)c2)s1.CN
InChIInChI=1S/C19H20N4S.CH5N.CH4/c1-11(2)21-19-23-17(14-7-5-6-12(3)8-14)18(24-19)15-9-13(4)22-16(20)10-15;1-2;/h5-10H,1H2,2-4H3,(H2,20,22)(H,21,23);2H2,1H3;1H4
InChIKeyOTRFVWYXGUYIKQ-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.23
Rot. Bonds4

About 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane

5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane (PubChem CID 162688437) has the molecular formula C21H29N5S and a molecular weight of 383.57 g/mol. Its IUPAC name is 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane.

Molecular Properties

Compound Name5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane
PubChem CID162688437
Molecular FormulaC21H29N5S
Molecular Weight383.57 g/mol
Exact Mass383.21
IUPAC Name5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane
SMILESC.C=C(C)Nc1nc(-c2cccc(C)c2)c(-c2cc(C)nc(N)c2)s1.CN
InChIInChI=1S/C19H20N4S.CH5N.CH4/c1-11(2)21-19-23-17(14-7-5-6-12(3)8-14)18(24-19)15-9-13(4)22-16(20)10-15;1-2;/h5-10H,1H2,2-4H3,(H2,20,22)(H,21,23);2H2,1H3;1H4
InChIKeyOTRFVWYXGUYIKQ-UHFFFAOYSA-N
XLogP5.23
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane?
The IUPAC name of 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane (CID 162688437) is 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane.
What is the SMILES notation for 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane?
The canonical SMILES for 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane is C.C=C(C)Nc1nc(-c2cccc(C)c2)c(-c2cc(C)nc(N)c2)s1.CN.
What is the InChIKey of 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane?
The InChIKey is OTRFVWYXGUYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S.CH5N.CH4/c1-11(2)21-19-23-17(14-7-5-6-12(3)8-14)18(24-19)15-9-13(4)22-16(20)10-15;1-2;/h5-10H,1H2,2-4H3,(H2,20,22)(H,21,23);2H2,1H3;1H4.
What are the key properties of 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane?
5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane has a molecular weight of 383.57 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-methyl-4-pyridinyl)-4-(3-methylphenyl)-N-prop-1-en-2-yl-1,3-thiazol-2-amine;methanamine;methane is sourced from PubChem (CID 162688437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).