2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

C11H15N3S2 — CID 115630861

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2cscn2)n1
InChIInChI=1S/C11H15N3S2/c1-8-5-16-10(14-8)11(2,3)13-4-9-6-15-7-12-9/h5-7,13H,4H2,1-3H3
InChIKeyKRSXPIVIRDHKNL-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine

2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (PubChem CID 115630861) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
PubChem CID115630861
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2cscn2)n1
InChIInChI=1S/C11H15N3S2/c1-8-5-16-10(14-8)11(2,3)13-4-9-6-15-7-12-9/h5-7,13H,4H2,1-3H3
InChIKeyKRSXPIVIRDHKNL-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115630862
N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 115630858
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
2-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 103700191
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
CID 96519843
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 75423305
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371
2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858736

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine (CID 115630861) is 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is Cc1csc(C(C)(C)NCc2cscn2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
The InChIKey is KRSXPIVIRDHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8-5-16-10(14-8)11(2,3)13-4-9-6-15-7-12-9/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 115630861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).