N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C16H32N4S — CID 43757506

IUPACN-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)c1ncc(CNCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C16H32N4S/c1-7-19(8-2)16-18-12-15(21-16)11-17-9-10-20(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyMRUHEPTUPQOMCM-UHFFFAOYSA-N
MW312.53 g/mol
LogP3.20
Rot. Bonds10

About N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43757506) has the molecular formula C16H32N4S and a molecular weight of 312.53 g/mol. Its IUPAC name is N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43757506
Molecular FormulaC16H32N4S
Molecular Weight312.53 g/mol
Exact Mass312.23
IUPAC NameN-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCCN(CC)c1ncc(CNCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C16H32N4S/c1-7-19(8-2)16-18-12-15(21-16)11-17-9-10-20(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyMRUHEPTUPQOMCM-UHFFFAOYSA-N
XLogP3.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103081048
N,N-diethyl-5-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 62197781
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43757506) is N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CCN(CC)c1ncc(CNCCN(C(C)C)C(C)C)s1.
What is the InChIKey of N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is MRUHEPTUPQOMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4S/c1-7-19(8-2)16-18-12-15(21-16)11-17-9-10-20(13(3)4)14(5)6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 312.53 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).