N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

C16H19N3O3S2 — CID 46258588

IUPACN-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C16H19N3O3S2/c1-9-2-3-10(15(20)17-11-4-5-11)6-12(9)18-16-19-13-7-24(21,22)8-14(13)23-16/h2-3,6,11,13-14H,4-5,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyUCDVBXVHPCBRHM-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.57
Rot. Bonds3

About N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide (PubChem CID 46258588) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
PubChem CID46258588
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC1=NC2CS(=O)(=O)CC2S1
InChIInChI=1S/C16H19N3O3S2/c1-9-2-3-10(15(20)17-11-4-5-11)6-12(9)18-16-19-13-7-24(21,22)8-14(13)23-16/h2-3,6,11,13-14H,4-5,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyUCDVBXVHPCBRHM-UHFFFAOYSA-N
XLogP1.57
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide (CID 46258588) is N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC1=NC2CS(=O)(=O)CC2S1.
What is the InChIKey of N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide?
The InChIKey is UCDVBXVHPCBRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-9-2-3-10(15(20)17-11-4-5-11)6-12(9)18-16-19-13-7-24(21,22)8-14(13)23-16/h2-3,6,11,13-14H,4-5,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide?
N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide is sourced from PubChem (CID 46258588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).