N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide

C23H26N4O2S — CID 118432647

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)cc3ccccc23)s1
InChIInChI=1S/C23H26N4O2S/c1-14-26-27-23(30-14)25-22(28)20-11-17(10-16-4-2-3-5-18(16)20)19-12-21(19)24-13-15-6-8-29-9-7-15/h2-5,10-11,15,19,21,24H,6-9,12-13H2,1H3,(H,25,27,28)/t19-,21+/m0/s1
InChIKeyWLOMPQCEVNWFSL-PZJWPPBQSA-N
MW422.55 g/mol
LogP4.12
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide (PubChem CID 118432647) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide
PubChem CID118432647
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)cc3ccccc23)s1
InChIInChI=1S/C23H26N4O2S/c1-14-26-27-23(30-14)25-22(28)20-11-17(10-16-4-2-3-5-18(16)20)19-12-21(19)24-13-15-6-8-29-9-7-15/h2-5,10-11,15,19,21,24H,6-9,12-13H2,1H3,(H,25,27,28)/t19-,21+/m0/s1
InChIKeyWLOMPQCEVNWFSL-PZJWPPBQSA-N
XLogP4.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 118304346
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 68894629
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
(E)-but-2-enedioic acid;N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304676
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432924
1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
CID 158474790
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(1R,2R)-2-[[1-(3-oxobutyl)piperidin-4-yl]methylamino]cyclopropyl]thiophene-3-carboxamide
CID 159364803
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304264
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167938873
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118433146
5-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304610

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide (CID 118432647) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide is Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)cc3ccccc23)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide?
The InChIKey is WLOMPQCEVNWFSL-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-14-26-27-23(30-14)25-22(28)20-11-17(10-16-4-2-3-5-18(16)20)19-12-21(19)24-13-15-6-8-29-9-7-15/h2-5,10-11,15,19,21,24H,6-9,12-13H2,1H3,(H,25,27,28)/t19-,21+/m0/s1.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 118432647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).