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

C12H22N4S — CID 62433618

IUPAC[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)N1CCN(Cc2csc(CN)n2)CC1
InChIInChI=1S/C12H22N4S/c1-10(2)16-5-3-15(4-6-16)8-11-9-17-12(7-13)14-11/h9-10H,3-8,13H2,1-2H3
InChIKeyNDSDXXSQEOPYPX-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.13
Rot. Bonds4

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

[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62433618) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62433618
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)N1CCN(Cc2csc(CN)n2)CC1
InChIInChI=1S/C12H22N4S/c1-10(2)16-5-3-15(4-6-16)8-11-9-17-12(7-13)14-11/h9-10H,3-8,13H2,1-2H3
InChIKeyNDSDXXSQEOPYPX-UHFFFAOYSA-N
XLogP1.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 43585535
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62967066
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62431138
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56826401
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 62311878

Frequently Asked Questions

What is the IUPAC name of [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62433618) is [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is CC(C)N1CCN(Cc2csc(CN)n2)CC1.
What is the InChIKey of [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is NDSDXXSQEOPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(2)16-5-3-15(4-6-16)8-11-9-17-12(7-13)14-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62433618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).