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

C11H15N3S2 — CID 64540582

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(CNCc2scnc2C)s1
InChIInChI=1S/C11H15N3S2/c1-7-10(15-6-13-7)4-12-5-11-8(2)14-9(3)16-11/h6,12H,4-5H2,1-3H3
InChIKeyIAWYBDJKDUHOJJ-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.81
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 64540582) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID64540582
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(CNCc2scnc2C)s1
InChIInChI=1S/C11H15N3S2/c1-7-10(15-6-13-7)4-12-5-11-8(2)14-9(3)16-11/h6,12H,4-5H2,1-3H3
InChIKeyIAWYBDJKDUHOJJ-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 64540577
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 63280280
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
1-(6-bromo-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112582362
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 64540582) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1nc(C)c(CNCc2scnc2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is IAWYBDJKDUHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-7-10(15-6-13-7)4-12-5-11-8(2)14-9(3)16-11/h6,12H,4-5H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 253.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 64540582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).