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

C12H24N4S — CID 113492479

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCC2CN(C)CCN2C)S1
InChIInChI=1S/C12H24N4S/c1-4-11-8-14-12(17-11)13-7-10-9-15(2)5-6-16(10)3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyWZBGMVSGJVXNKQ-UHFFFAOYSA-N
MW256.42 g/mol
LogP0.70
Rot. Bonds3

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492479) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492479
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCC2CN(C)CCN2C)S1
InChIInChI=1S/C12H24N4S/c1-4-11-8-14-12(17-11)13-7-10-9-15(2)5-6-16(10)3/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyWZBGMVSGJVXNKQ-UHFFFAOYSA-N
XLogP0.70
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
CID 20213258
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
(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
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930
4-(Butylaminomethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 23395630
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29068068

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113492479) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NCC2CN(C)CCN2C)S1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WZBGMVSGJVXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-11-8-14-12(17-11)13-7-10-9-15(2)5-6-16(10)3/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.42 g/mol, XLogP of 0.70, 3 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-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).