5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide

C19H18N4O2S2 — CID 9103840

IUPAC5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCc1ccsc1/C=N\n1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\C1CC1
InChIInChI=1S/C19H18N4O2S2/c1-11-6-7-26-17(11)9-21-23-15(10-27-19(23)22-13-3-4-13)12-2-5-16(24)14(8-12)18(20)25/h2,5-10,13,24H,3-4H2,1H3,(H2,20,25)/b21-9-,22-19-
InChIKeyQRYASXHLGPTEDN-UDWUWJNASA-N
MW398.51 g/mol
LogP3.34
Rot. Bonds5

About 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 9103840) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID9103840
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESCc1ccsc1/C=N\n1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\C1CC1
InChIInChI=1S/C19H18N4O2S2/c1-11-6-7-26-17(11)9-21-23-15(10-27-19(23)22-13-3-4-13)12-2-5-16(24)14(8-12)18(20)25/h2,5-10,13,24H,3-4H2,1H3,(H2,20,25)/b21-9-,22-19-
InChIKeyQRYASXHLGPTEDN-UDWUWJNASA-N
XLogP3.34
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 9103840) is 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is Cc1ccsc1/C=N\n1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\C1CC1.
What is the InChIKey of 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is QRYASXHLGPTEDN-UDWUWJNASA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-11-6-7-26-17(11)9-21-23-15(10-27-19(23)22-13-3-4-13)12-2-5-16(24)14(8-12)18(20)25/h2,5-10,13,24H,3-4H2,1H3,(H2,20,25)/b21-9-,22-19-.
What are the key properties of 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 398.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropylimino-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 9103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).