1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea

C18H19N3OS2 — CID 97019170

IUPAC1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nc2ccsc2s1
InChIInChI=1S/C18H19N3OS2/c1-12(14-7-8-14)21(11-13-5-3-2-4-6-13)18(22)20-17-19-15-9-10-23-16(15)24-17/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,19,20,22)/t12-/m0/s1
InChIKeyJZPMEIJRUXRWNK-LBPRGKRZSA-N
MW357.50 g/mol
LogP5.19
Rot. Bonds5

About 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea

1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea (PubChem CID 97019170) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea.

Molecular Properties

Compound Name1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
PubChem CID97019170
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nc2ccsc2s1
InChIInChI=1S/C18H19N3OS2/c1-12(14-7-8-14)21(11-13-5-3-2-4-6-13)18(22)20-17-19-15-9-10-23-16(15)24-17/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,19,20,22)/t12-/m0/s1
InChIKeyJZPMEIJRUXRWNK-LBPRGKRZSA-N
XLogP5.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
CID 166280977
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
N-benzyl-N-(1-cyclopropylethyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 60531411
N-benzyl-N-(1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55557175
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
CID 560931
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617053
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
CID 14893622

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea?
The IUPAC name of 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea (CID 97019170) is 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea.
What is the SMILES notation for 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea?
The canonical SMILES for 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nc2ccsc2s1.
What is the InChIKey of 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea?
The InChIKey is JZPMEIJRUXRWNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-12(14-7-8-14)21(11-13-5-3-2-4-6-13)18(22)20-17-19-15-9-10-23-16(15)24-17/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,19,20,22)/t12-/m0/s1.
What are the key properties of 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea?
1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea has a molecular weight of 357.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea is sourced from PubChem (CID 97019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).