3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide

C18H16N4O2S — CID 134022231

IUPAC3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)s1
InChIInChI=1S/C18H16N4O2S/c1-10-21-22-18(25-10)20-17(24)14-8-12-4-2-3-5-13(12)9-15(14)19-16(23)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyCYDFFVRIIKLPMZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.60
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 134022231) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
PubChem CID134022231
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)s1
InChIInChI=1S/C18H16N4O2S/c1-10-21-22-18(25-10)20-17(24)14-8-12-4-2-3-5-13(12)9-15(14)19-16(23)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyCYDFFVRIIKLPMZ-UHFFFAOYSA-N
XLogP3.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
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3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
CID 86923799
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
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3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167938873
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide (CID 134022231) is 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide is Cc1nnc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)s1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is CYDFFVRIIKLPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-21-22-18(25-10)20-17(24)14-8-12-4-2-3-5-13(12)9-15(14)19-16(23)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3,(H,19,23)(H,20,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 134022231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).