2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C14H28N4S — CID 103191924

IUPAC2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1nc(C(C)C)c(CN)s1)C(C)CN(C)C
InChIInChI=1S/C14H28N4S/c1-7-18(11(4)9-17(5)6)14-16-13(10(2)3)12(8-15)19-14/h10-11H,7-9,15H2,1-6H3
InChIKeyBIDGBJBNNGXDDU-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.50
Rot. Bonds7

About 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191924) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191924
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC Name2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1nc(C(C)C)c(CN)s1)C(C)CN(C)C
InChIInChI=1S/C14H28N4S/c1-7-18(11(4)9-17(5)6)14-16-13(10(2)3)12(8-15)19-14/h10-11H,7-9,15H2,1-6H3
InChIKeyBIDGBJBNNGXDDU-UHFFFAOYSA-N
XLogP2.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
2-N-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189856
2-N-[5-(aminomethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191881
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396354
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 79395615
2-N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114275869
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
5-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393376
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 103191898
5-(aminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79393291

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191924) is 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1nc(C(C)C)c(CN)s1)C(C)CN(C)C.
What is the InChIKey of 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is BIDGBJBNNGXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-7-18(11(4)9-17(5)6)14-16-13(10(2)3)12(8-15)19-14/h10-11H,7-9,15H2,1-6H3.
What are the key properties of 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).