N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H23N3O3S — CID 119575867

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)ccc1OCc1cscn1
InChIInChI=1S/C18H23N3O3S/c1-18(10-19,13-4-5-13)21-17(22)12-3-6-15(16(7-12)23-2)24-8-14-9-25-11-20-14/h3,6-7,9,11,13H,4-5,8,10,19H2,1-2H3,(H,21,22)
InChIKeyRQWAMFDXOFZTKH-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.59
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 119575867) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID119575867
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)ccc1OCc1cscn1
InChIInChI=1S/C18H23N3O3S/c1-18(10-19,13-4-5-13)21-17(22)12-3-6-15(16(7-12)23-2)24-8-14-9-25-11-20-14/h3,6-7,9,11,13H,4-5,8,10,19H2,1-2H3,(H,21,22)
InChIKeyRQWAMFDXOFZTKH-UHFFFAOYSA-N
XLogP2.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119575855
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 119575867) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NC(C)(CN)C2CC2)ccc1OCc1cscn1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is RQWAMFDXOFZTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18(10-19,13-4-5-13)21-17(22)12-3-6-15(16(7-12)23-2)24-8-14-9-25-11-20-14/h3,6-7,9,11,13H,4-5,8,10,19H2,1-2H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 119575867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).