N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine

C16H22N4S — CID 62425656

IUPACN-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
SMILESCNCc1ccc(CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C16H22N4S/c1-17-12-14-2-4-15(5-3-14)13-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,17H,7-10,12-13H2,1H3
InChIKeyNNVGZDKYVBCTOE-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.18
Rot. Bonds5

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

N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine (PubChem CID 62425656) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
PubChem CID62425656
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
SMILESCNCc1ccc(CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C16H22N4S/c1-17-12-14-2-4-15(5-3-14)13-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,17H,7-10,12-13H2,1H3
InChIKeyNNVGZDKYVBCTOE-UHFFFAOYSA-N
XLogP2.18
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
CID 78805879
N-methyl-1-[5-methyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62425837
[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471387
N-methyl-1-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methanamine
CID 105072686
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3λ6-benzoxathiole 3,3-dioxide
CID 70575583
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine (CID 62425656) is N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine is CNCc1ccc(CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine?
The InChIKey is NNVGZDKYVBCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-17-12-14-2-4-15(5-3-14)13-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,17H,7-10,12-13H2,1H3.
What are the key properties of N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine?
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine has a molecular weight of 302.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 62425656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).