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

C11H15N3S2 — CID 83967573

IUPAC[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCC(C)c1csc(Cc2nc(CN)cs2)n1
InChIInChI=1S/C11H15N3S2/c1-7(2)9-6-16-11(14-9)3-10-13-8(4-12)5-15-10/h5-7H,3-4,12H2,1-2H3
InChIKeyOLOZIZWVQHZYFA-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.77
Rot. Bonds4

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

[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 83967573) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID83967573
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCC(C)c1csc(Cc2nc(CN)cs2)n1
InChIInChI=1S/C11H15N3S2/c1-7(2)9-6-16-11(14-9)3-10-13-8(4-12)5-15-10/h5-7H,3-4,12H2,1-2H3
InChIKeyOLOZIZWVQHZYFA-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62596294
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
diphenyl-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]phenyl]phosphane;hydroiodide
CID 173348317
[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 116969441
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167

Frequently Asked Questions

What is the IUPAC name of [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (CID 83967573) is [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is CC(C)c1csc(Cc2nc(CN)cs2)n1.
What is the InChIKey of [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is OLOZIZWVQHZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-7(2)9-6-16-11(14-9)3-10-13-8(4-12)5-15-10/h5-7H,3-4,12H2,1-2H3.
What are the key properties of [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 253.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 83967573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).