1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea

C14H21N3O2S — CID 128859240

IUPAC1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea
SMILESC[C@H]1OCC[C@H]1NC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C14H21N3O2S/c1-8-9(5-7-19-8)15-12(18)17-13-16-11-10(20-13)4-6-14(11,2)3/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)/t8-,9-/m1/s1
InChIKeyAIYRZJNFSOOXJZ-RKDXNWHRSA-N
MW295.41 g/mol
LogP2.67
Rot. Bonds2

About 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea

1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea (PubChem CID 128859240) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea
PubChem CID128859240
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea
SMILESC[C@H]1OCC[C@H]1NC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C14H21N3O2S/c1-8-9(5-7-19-8)15-12(18)17-13-16-11-10(20-13)4-6-14(11,2)3/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)/t8-,9-/m1/s1
InChIKeyAIYRZJNFSOOXJZ-RKDXNWHRSA-N
XLogP2.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea?
The IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea (CID 128859240) is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea.
What is the SMILES notation for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea?
The canonical SMILES for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea is C[C@H]1OCC[C@H]1NC(=O)Nc1nc2c(s1)CCC2(C)C.
What is the InChIKey of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea?
The InChIKey is AIYRZJNFSOOXJZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-9(5-7-19-8)15-12(18)17-13-16-11-10(20-13)4-6-14(11,2)3/h8-9H,4-7H2,1-3H3,(H2,15,16,17,18)/t8-,9-/m1/s1.
What are the key properties of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea?
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea has a molecular weight of 295.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(2R,3R)-2-methyloxolan-3-yl]urea is sourced from PubChem (CID 128859240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).