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

C15H30N4S — CID 62769245

IUPACN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCc1nc(N(CCN(C)C)CC(C)C)sc1CN
InChIInChI=1S/C15H30N4S/c1-6-7-13-14(10-16)20-15(17-13)19(11-12(2)3)9-8-18(4)5/h12H,6-11,16H2,1-5H3
InChIKeyFEENGHIAKGOBLF-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.58
Rot. Bonds9

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

N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62769245) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62769245
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCc1nc(N(CCN(C)C)CC(C)C)sc1CN
InChIInChI=1S/C15H30N4S/c1-6-7-13-14(10-16)20-15(17-13)19(11-12(2)3)9-8-18(4)5/h12H,6-11,16H2,1-5H3
InChIKeyFEENGHIAKGOBLF-UHFFFAOYSA-N
XLogP2.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62769245) is N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCCc1nc(N(CCN(C)C)CC(C)C)sc1CN.
What is the InChIKey of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FEENGHIAKGOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-6-7-13-14(10-16)20-15(17-13)19(11-12(2)3)9-8-18(4)5/h12H,6-11,16H2,1-5H3.
What are the key properties of N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.58, 9 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-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62769245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).