N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C13H20N4S — CID 56703803

IUPACN-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cncn2C)cs1
InChIInChI=1S/C13H20N4S/c1-10(2)13-15-11(8-18-13)6-16(3)7-12-5-14-9-17(12)4/h5,8-10H,6-7H2,1-4H3
InChIKeyGIWPKTPNPYSZRT-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.63
Rot. Bonds5

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

N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 56703803) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID56703803
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cncn2C)cs1
InChIInChI=1S/C13H20N4S/c1-10(2)13-15-11(8-18-13)6-16(3)7-12-5-14-9-17(12)4/h5,8-10H,6-7H2,1-4H3
InChIKeyGIWPKTPNPYSZRT-UHFFFAOYSA-N
XLogP2.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 56703803) is N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2cncn2C)cs1.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is GIWPKTPNPYSZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-10(2)13-15-11(8-18-13)6-16(3)7-12-5-14-9-17(12)4/h5,8-10H,6-7H2,1-4H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 264.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56703803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).