N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C14H12N2O3S — CID 861897

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1
InChIInChI=1S/C14H12N2O3S/c17-13(8-1-2-8)16-14-15-10(6-20-14)9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,16,17)
InChIKeyLXSZLENTRSCMFB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.89
Rot. Bonds3

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 861897) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID861897
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1
InChIInChI=1S/C14H12N2O3S/c17-13(8-1-2-8)16-14-15-10(6-20-14)9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,16,17)
InChIKeyLXSZLENTRSCMFB-UHFFFAOYSA-N
XLogP2.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 4841050
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8961860
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514
Ethyl {2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 784187
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acrylamide
CID 2166356
4-(1,3-benzodioxol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 142727014
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 861897) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is LXSZLENTRSCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(8-1-2-8)16-14-15-10(6-20-14)9-3-4-11-12(5-9)19-7-18-11/h3-6,8H,1-2,7H2,(H,15,16,17).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).