2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde

C9H15N3OS — CID 174483066

IUPAC2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
SMILESCc1nc(NCCNCC=O)sc1C
InChIInChI=1S/C9H15N3OS/c1-7-8(2)14-9(12-7)11-4-3-10-5-6-13/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNFZDXKCUUXFYCH-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.96
Rot. Bonds6

About 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde

2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde (PubChem CID 174483066) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
PubChem CID174483066
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
SMILESCc1nc(NCCNCC=O)sc1C
InChIInChI=1S/C9H15N3OS/c1-7-8(2)14-9(12-7)11-4-3-10-5-6-13/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyNFZDXKCUUXFYCH-UHFFFAOYSA-N
XLogP0.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
4,5-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 65169271
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
CID 142027710
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
CID 65284896

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde?
The IUPAC name of 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde (CID 174483066) is 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde is Cc1nc(NCCNCC=O)sc1C.
What is the InChIKey of 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde?
The InChIKey is NFZDXKCUUXFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-8(2)14-9(12-7)11-4-3-10-5-6-13/h6,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde?
2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde has a molecular weight of 213.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde is sourced from PubChem (CID 174483066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).