4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine

C16H21N3OS — CID 17443525

IUPAC4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(-c2csc(N3CCOCC3)n2)c(C)n1C1CC1
InChIInChI=1S/C16H21N3OS/c1-11-9-14(12(2)19(11)13-3-4-13)15-10-21-16(17-15)18-5-7-20-8-6-18/h9-10,13H,3-8H2,1-2H3
InChIKeyVBCFVLCPJKDCIX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds3

About 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 17443525) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID17443525
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(-c2csc(N3CCOCC3)n2)c(C)n1C1CC1
InChIInChI=1S/C16H21N3OS/c1-11-9-14(12(2)19(11)13-3-4-13)15-10-21-16(17-15)18-5-7-20-8-6-18/h9-10,13H,3-8H2,1-2H3
InChIKeyVBCFVLCPJKDCIX-UHFFFAOYSA-N
XLogP3.40
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]thiolane 1,1-dioxide
CID 17486482
dimethyl 5-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]benzene-1,3-dicarboxylate
CID 42998337
4-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42998335
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
N-cyclopentyl-4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 8961705
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 24505635
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
CID 7602102
4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine
CID 138808844
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine (CID 17443525) is 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine is Cc1cc(-c2csc(N3CCOCC3)n2)c(C)n1C1CC1.
What is the InChIKey of 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is VBCFVLCPJKDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-9-14(12(2)19(11)13-3-4-13)15-10-21-16(17-15)18-5-7-20-8-6-18/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 303.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 17443525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).