5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide

C18H15FN4O2S — CID 118062073

IUPAC5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)C1CC1
InChIInChI=1S/C18H15FN4O2S/c19-12-5-3-11-8-13(6-4-10(11)7-12)21-18-22-14(15(20)24)17(26-18)23-16(25)9-1-2-9/h3-9H,1-2H2,(H2,20,24)(H,21,22)(H,23,25)
InChIKeyBJSPLQLITPEERR-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.63
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide

5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 118062073) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID118062073
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)C1CC1
InChIInChI=1S/C18H15FN4O2S/c19-12-5-3-11-8-13(6-4-10(11)7-12)21-18-22-14(15(20)24)17(26-18)23-16(25)9-1-2-9/h3-9H,1-2H2,(H2,20,24)(H,21,22)(H,23,25)
InChIKeyBJSPLQLITPEERR-UHFFFAOYSA-N
XLogP3.63
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 118062073) is 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3cc(F)ccc3c2)sc1NC(=O)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is BJSPLQLITPEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-12-5-3-11-8-13(6-4-10(11)7-12)21-18-22-14(15(20)24)17(26-18)23-16(25)9-1-2-9/h3-9H,1-2H2,(H2,20,24)(H,21,22)(H,23,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide?
5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).