(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine

C11H19N3S2 — CID 79395608

IUPAC(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(N2CCSCC2)sc1CN
InChIInChI=1S/C11H19N3S2/c1-8(2)10-9(7-12)16-11(13-10)14-3-5-15-6-4-14/h8H,3-7,12H2,1-2H3
InChIKeyDICBUQMUXZFZKT-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.28
Rot. Bonds3

About (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine

(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 79395608) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
PubChem CID79395608
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(N2CCSCC2)sc1CN
InChIInChI=1S/C11H19N3S2/c1-8(2)10-9(7-12)16-11(13-10)14-3-5-15-6-4-14/h8H,3-7,12H2,1-2H3
InChIKeyDICBUQMUXZFZKT-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395059
[4-propan-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 79380938
[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79383590
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62766049
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79392675
N-methyl-1-(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 62766044
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435654
[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395338

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine (CID 79395608) is (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine is CC(C)c1nc(N2CCSCC2)sc1CN.
What is the InChIKey of (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is DICBUQMUXZFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-8(2)10-9(7-12)16-11(13-10)14-3-5-15-6-4-14/h8H,3-7,12H2,1-2H3.
What are the key properties of (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine?
(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 257.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 79395608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).