4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine

C14H16ClN5OS — CID 56872729

IUPAC4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1cc(Cn2ccnc2-c2sc(N(C)C)nc2Cl)on1
InChIInChI=1S/C14H16ClN5OS/c1-4-9-7-10(21-18-9)8-20-6-5-16-13(20)11-12(15)17-14(22-11)19(2)3/h5-7H,4,8H2,1-3H3
InChIKeyQITJOCOUVKPDHG-UHFFFAOYSA-N
MW337.84 g/mol
LogP3.32
Rot. Bonds5

About 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine

4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 56872729) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID56872729
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1cc(Cn2ccnc2-c2sc(N(C)C)nc2Cl)on1
InChIInChI=1S/C14H16ClN5OS/c1-4-9-7-10(21-18-9)8-20-6-5-16-13(20)11-12(15)17-14(22-11)19(2)3/h5-7H,4,8H2,1-3H3
InChIKeyQITJOCOUVKPDHG-UHFFFAOYSA-N
XLogP3.32
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 56872729) is 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine is CCc1cc(Cn2ccnc2-c2sc(N(C)C)nc2Cl)on1.
What is the InChIKey of 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QITJOCOUVKPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-4-9-7-10(21-18-9)8-20-6-5-16-13(20)11-12(15)17-14(22-11)19(2)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 337.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]imidazol-2-yl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 56872729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).