2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde

C9H14N2OS — CID 83880353

IUPAC2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
SMILESCC(C)N(C)c1nc(CC=O)cs1
InChIInChI=1S/C9H14N2OS/c1-7(2)11(3)9-10-8(4-5-12)6-13-9/h5-7H,4H2,1-3H3
InChIKeyIHBIZUCKDVDNNK-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde

2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde (PubChem CID 83880353) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
PubChem CID83880353
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
SMILESCC(C)N(C)c1nc(CC=O)cs1
InChIInChI=1S/C9H14N2OS/c1-7(2)11(3)9-10-8(4-5-12)6-13-9/h5-7H,4H2,1-3H3
InChIKeyIHBIZUCKDVDNNK-UHFFFAOYSA-N
XLogP1.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.73
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

4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
CID 153389943
3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]butanimidamide
CID 63224469
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 143504672
2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111964597

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde (CID 83880353) is 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde is CC(C)N(C)c1nc(CC=O)cs1.
What is the InChIKey of 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde?
The InChIKey is IHBIZUCKDVDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(2)11(3)9-10-8(4-5-12)6-13-9/h5-7H,4H2,1-3H3.
What are the key properties of 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde?
2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde has a molecular weight of 198.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde is sourced from PubChem (CID 83880353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).