N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

C13H20N4S — CID 28641728

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1cnc(CN(C)CCCc2scnc2C)[nH]1
InChIInChI=1S/C13H20N4S/c1-10-7-14-13(16-10)8-17(3)6-4-5-12-11(2)15-9-18-12/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyQQWMYQIHJHCNGU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 28641728) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID28641728
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1cnc(CN(C)CCCc2scnc2C)[nH]1
InChIInChI=1S/C13H20N4S/c1-10-7-14-13(16-10)8-17(3)6-4-5-12-11(2)15-9-18-12/h7,9H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyQQWMYQIHJHCNGU-UHFFFAOYSA-N
XLogP2.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 29258366
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 131939819
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 28956274
4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 50975442
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 28641728) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1cnc(CN(C)CCCc2scnc2C)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is QQWMYQIHJHCNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10-7-14-13(16-10)8-17(3)6-4-5-12-11(2)15-9-18-12/h7,9H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 264.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 28641728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).