2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

C14H16N2O2S2 — CID 107509030

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(Cc2ccsc2)C2CC2)sc1C=O
InChIInChI=1S/C14H16N2O2S2/c1-18-8-12-13(7-17)20-14(15-12)16(11-2-3-11)6-10-4-5-19-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeySOWDLWITYDLLRP-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.33
Rot. Bonds7

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107509030) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107509030
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(Cc2ccsc2)C2CC2)sc1C=O
InChIInChI=1S/C14H16N2O2S2/c1-18-8-12-13(7-17)20-14(15-12)16(11-2-3-11)6-10-4-5-19-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeySOWDLWITYDLLRP-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
2-(N-ethyl-2-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508942
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106970786
methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
CID 114405715
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754444
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64543556
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107509030) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N(Cc2ccsc2)C2CC2)sc1C=O.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SOWDLWITYDLLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-18-8-12-13(7-17)20-14(15-12)16(11-2-3-11)6-10-4-5-19-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 308.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107509030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).