N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide

C19H23N3OS2 — CID 119658948

IUPACN-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H23N3OS2/c1-12(2)13(20)10-11-22(3)19(23)17-9-8-16(24-17)18-21-14-6-4-5-7-15(14)25-18/h4-9,12-13H,10-11,20H2,1-3H3
InChIKeyHHKRGWAFSFPACE-UHFFFAOYSA-N
MW373.55 g/mol
LogP4.47
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide

N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide (PubChem CID 119658948) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide
PubChem CID119658948
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC NameN-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H23N3OS2/c1-12(2)13(20)10-11-22(3)19(23)17-9-8-16(24-17)18-21-14-6-4-5-7-15(14)25-18/h4-9,12-13H,10-11,20H2,1-3H3
InChIKeyHHKRGWAFSFPACE-UHFFFAOYSA-N
XLogP4.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide (CID 119658948) is N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide is CC(C)C(N)CCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide?
The InChIKey is HHKRGWAFSFPACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-12(2)13(20)10-11-22(3)19(23)17-9-8-16(24-17)18-21-14-6-4-5-7-15(14)25-18/h4-9,12-13H,10-11,20H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide?
N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119658948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).