N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C15H30N4OS — CID 43665070

IUPACN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4OS/c1-11(2)19(12(3)4)9-8-16-10-13-14(20-7)17-15(21-13)18(5)6/h11-12,16H,8-10H2,1-7H3
InChIKeyAUBKCZAUYPQYER-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.43
Rot. Bonds9

About N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43665070) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43665070
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC NameN-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N4OS/c1-11(2)19(12(3)4)9-8-16-10-13-14(20-7)17-15(21-13)18(5)6/h11-12,16H,8-10H2,1-7H3
InChIKeyAUBKCZAUYPQYER-UHFFFAOYSA-N
XLogP2.43
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43665070) is N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is COc1nc(N(C)C)sc1CNCCN(C(C)C)C(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is AUBKCZAUYPQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-11(2)19(12(3)4)9-8-16-10-13-14(20-7)17-15(21-13)18(5)6/h11-12,16H,8-10H2,1-7H3.
What are the key properties of N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 314.50 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43665070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).