5-(dimethylamino)-1,3-thiazole-2-carbaldehyde

C6H8N2OS — CID 139671541

IUPAC5-(dimethylamino)-1,3-thiazole-2-carbaldehyde
SMILESCN(C)c1cnc(C=O)s1
InChIInChI=1S/C6H8N2OS/c1-8(2)6-3-7-5(4-9)10-6/h3-4H,1-2H3
InChIKeyBUPQUETVQSBMOU-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.02
Rot. Bonds2

About 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde

5-(dimethylamino)-1,3-thiazole-2-carbaldehyde (PubChem CID 139671541) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-1,3-thiazole-2-carbaldehyde
PubChem CID139671541
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name5-(dimethylamino)-1,3-thiazole-2-carbaldehyde
SMILESCN(C)c1cnc(C=O)s1
InChIInChI=1S/C6H8N2OS/c1-8(2)6-3-7-5(4-9)10-6/h3-4H,1-2H3
InChIKeyBUPQUETVQSBMOU-UHFFFAOYSA-N
XLogP1.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Thiazole-2-carbaldehyde
CID 2734903
5-(Trimethylsilyl)thiazole-2-carboxaldehyde
CID 18785782
1-(5-Dimethylamino-thiazol-2-yl)-ethanone
CID 45086499
5-(Tributylstannyl)thiazole-2-carbaldehyde
CID 46840020
N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 57453640
N,N,2-trimethyl-1,3-thiazol-5-amine
CID 59791348
Thiazole-2-carbaldehyde hydrochloride
CID 71627052
5-amino-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 83695506
Azane;1,3-thiazole-2-carbaldehyde
CID 87118985
2-[Methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
2-[5-(Dimethylamino)-1,3-thiazol-2-yl]acetaldehyde
CID 87995636
2-(1,3-Thiazol-2-ylmethylamino)acetaldehyde
CID 89275790

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde (CID 139671541) is 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde is CN(C)c1cnc(C=O)s1.
What is the InChIKey of 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde?
The InChIKey is BUPQUETVQSBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-8(2)6-3-7-5(4-9)10-6/h3-4H,1-2H3.
What are the key properties of 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde?
5-(dimethylamino)-1,3-thiazole-2-carbaldehyde has a molecular weight of 156.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 139671541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).