1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea

C15H16FN3OS — CID 94652721

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@H]2CCc3cc(F)ccc32)sc1C
InChIInChI=1S/C15H16FN3OS/c1-8-9(2)21-15(17-8)19-14(20)18-13-6-3-10-7-11(16)4-5-12(10)13/h4-5,7,13H,3,6H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyHOIFFLDWIPVNSB-ZDUSSCGKSA-N
MW305.38 g/mol
LogP3.71
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 94652721) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID94652721
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1nc(NC(=O)N[C@H]2CCc3cc(F)ccc32)sc1C
InChIInChI=1S/C15H16FN3OS/c1-8-9(2)21-15(17-8)19-14(20)18-13-6-3-10-7-11(16)4-5-12(10)13/h4-5,7,13H,3,6H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyHOIFFLDWIPVNSB-ZDUSSCGKSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]urea
CID 164609729
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(2R)-2-phenylpropyl]urea
CID 164610648
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2,2,2-trifluoro-1-phenylethyl)urea
CID 164611143
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-benzylurea
CID 164611342
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(3-methyl-2-phenylbutyl)urea
CID 164614645
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-methyl-1-phenylpropyl)urea
CID 164614841
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 164614907
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylbutyl)urea
CID 164617783
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(4-methylphenyl)ethyl]urea
CID 164618508
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(2-fluorophenyl)ethyl]urea
CID 164619208
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(1-phenylpropyl)urea
CID 164620678
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea
CID 164622190

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea (CID 94652721) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea is Cc1nc(NC(=O)N[C@H]2CCc3cc(F)ccc32)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is HOIFFLDWIPVNSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-8-9(2)21-15(17-8)19-14(20)18-13-6-3-10-7-11(16)4-5-12(10)13/h4-5,7,13H,3,6H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 94652721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).