1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine

C12H23N3S — CID 81012095

IUPAC1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-5-13-6-10(2)11(3)15(4)7-12-8-16-9-14-12/h8-11,13H,5-7H2,1-4H3
InChIKeyZTRCCOCXRFCDKB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.21
Rot. Bonds7

About 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine

1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine (PubChem CID 81012095) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
PubChem CID81012095
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
SMILESCCNCC(C)C(C)N(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-5-13-6-10(2)11(3)15(4)7-12-8-16-9-14-12/h8-11,13H,5-7H2,1-4H3
InChIKeyZTRCCOCXRFCDKB-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
N-ethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 62529372
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62425924
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine (CID 81012095) is 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine is CCNCC(C)C(C)N(C)Cc1cscn1.
What is the InChIKey of 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine?
The InChIKey is ZTRCCOCXRFCDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-13-6-10(2)11(3)15(4)7-12-8-16-9-14-12/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine?
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 81012095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).