N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

C12H24N4S — CID 55225632

IUPACN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCc1nc(N(C)CCN(C)C)sc1CN
InChIInChI=1S/C12H24N4S/c1-5-6-10-11(9-13)17-12(14-10)16(4)8-7-15(2)3/h5-9,13H2,1-4H3
InChIKeyBLZOTNPIENCEHE-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.55
Rot. Bonds7

About N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 55225632) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID55225632
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC NameN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCc1nc(N(C)CCN(C)C)sc1CN
InChIInChI=1S/C12H24N4S/c1-5-6-10-11(9-13)17-12(14-10)16(4)8-7-15(2)3/h5-9,13H2,1-4H3
InChIKeyBLZOTNPIENCEHE-UHFFFAOYSA-N
XLogP1.55
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62769245
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62778968
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
5-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62767236
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286

Frequently Asked Questions

What is the IUPAC name of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 55225632) is N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is CCCc1nc(N(C)CCN(C)C)sc1CN.
What is the InChIKey of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is BLZOTNPIENCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-6-10-11(9-13)17-12(14-10)16(4)8-7-15(2)3/h5-9,13H2,1-4H3.
What are the key properties of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 55225632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).