N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C17H18N4O3S — CID 25182024

IUPACN-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1
InChIInChI=1S/C17H18N4O3S/c1-11(22)19-17-21-14-5-4-12(10-15(14)25-17)13-6-7-18-16(20-13)24-9-3-8-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,22)
InChIKeyVZQJNSKEKNJAOB-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.13
Rot. Bonds7

About N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182024) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182024
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCOCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1
InChIInChI=1S/C17H18N4O3S/c1-11(22)19-17-21-14-5-4-12(10-15(14)25-17)13-6-7-18-16(20-13)24-9-3-8-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,22)
InChIKeyVZQJNSKEKNJAOB-UHFFFAOYSA-N
XLogP3.13
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
CID 134203923
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
CID 71777716
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
N-[4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972289
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(pyrimidin-2-yl)acetamide
CID 665184
N-(4-(4-(2-(Ethylamino)-4-methylthiazol-5-yl)pyrimidin-2-ylamino)benzyl)acetamide
CID 11646645
N-(6-ethylbenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032581
N-(6-(2-(3-(pyridin-3-yl)propoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182020
N-(6-(2-(Benzyloxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182022
N-(6-(2-(3-Phenylpropoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182023

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 25182024) is N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is COCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1.
What is the InChIKey of N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is VZQJNSKEKNJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11(22)19-17-21-14-5-4-12(10-15(14)25-17)13-6-7-18-16(20-13)24-9-3-8-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,22).
What are the key properties of N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-methoxypropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).