N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H22N4S — CID 63898991

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CN(C)CCN2C)S1
InChIInChI=1S/C11H22N4S/c1-9-6-12-11(16-9)13-7-10-8-14(2)4-5-15(10)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyYDPFIYJWKOMHSN-UHFFFAOYSA-N
MW242.39 g/mol
LogP0.31
Rot. Bonds2

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63898991) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63898991
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CN(C)CCN2C)S1
InChIInChI=1S/C11H22N4S/c1-9-6-12-11(16-9)13-7-10-8-14(2)4-5-15(10)3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyYDPFIYJWKOMHSN-UHFFFAOYSA-N
XLogP0.31
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine
CID 818281
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride
CID 54595408
4-(Piperazin-1-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 9877665
4-[(4-Methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 9877785
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine;dihydrochloride
CID 20213257
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine
CID 20213258
(2-Piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
CID 67279516
1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine
CID 134202138
ethane;ethenyl 4-(2-aminoethylamino)-N-methylpiperidine-1-carboximidothioate
CID 141933297
ethane;ethyl N-ethylpiperazine-1-carboximidothioate
CID 143991147
N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-propanamine
CID 3614172

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63898991) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC2CN(C)CCN2C)S1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YDPFIYJWKOMHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-9-6-12-11(16-9)13-7-10-8-14(2)4-5-15(10)3/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63898991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).