1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea

C18H21N3O2S — CID 96518480

IUPAC1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
SMILESO=C(NC[C@H]1COc2ccccc2C1)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C18H21N3O2S/c22-18(21-16(13-5-6-13)17-19-7-8-24-17)20-10-12-9-14-3-1-2-4-15(14)23-11-12/h1-4,7-8,12-13,16H,5-6,9-11H2,(H2,20,21,22)/t12-,16-/m0/s1
InChIKeyQPWLRKCASVWISO-LRDDRELGSA-N
MW343.45 g/mol
LogP3.14
Rot. Bonds5

About 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea (PubChem CID 96518480) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
PubChem CID96518480
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea
SMILESO=C(NC[C@H]1COc2ccccc2C1)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C18H21N3O2S/c22-18(21-16(13-5-6-13)17-19-7-8-24-17)20-10-12-9-14-3-1-2-4-15(14)23-11-12/h1-4,7-8,12-13,16H,5-6,9-11H2,(H2,20,21,22)/t12-,16-/m0/s1
InChIKeyQPWLRKCASVWISO-LRDDRELGSA-N
XLogP3.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95907898
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71985733
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 96520241
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea (CID 96518480) is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea is O=C(NC[C@H]1COc2ccccc2C1)N[C@H](c1nccs1)C1CC1.
What is the InChIKey of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea?
The InChIKey is QPWLRKCASVWISO-LRDDRELGSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(21-16(13-5-6-13)17-19-7-8-24-17)20-10-12-9-14-3-1-2-4-15(14)23-11-12/h1-4,7-8,12-13,16H,5-6,9-11H2,(H2,20,21,22)/t12-,16-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea?
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea has a molecular weight of 343.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]urea is sourced from PubChem (CID 96518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).